diff options
Diffstat (limited to 'regression/LOAEL-rat-combined.csv')
| -rw-r--r-- | regression/LOAEL-rat-combined.csv | 1061 |
1 files changed, 0 insertions, 1061 deletions
diff --git a/regression/LOAEL-rat-combined.csv b/regression/LOAEL-rat-combined.csv deleted file mode 100644 index ac33c7a..0000000 --- a/regression/LOAEL-rat-combined.csv +++ /dev/null @@ -1,1061 +0,0 @@ -SMILES,LOAEL_mmol_kg_bw_day -C1=C(C(=CC(=C1NN=C3C2=C(C=C([S]([O-])(=O)=O)C=C2)C=CC3=O)OC)[S]([O-])(=O)=O)C.[Na+].[Na+],7.531899781214326 -O1C(=O)C(O)=C(O)C1C(O)CO,17.323010613197102 -C1(C)=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OC)C(C)(C)CCC1,1.119409718240544 -c(cccc1)(c1)C(C)C,3.8438632722857955 -O=C(OCCCC)c(c(ccc1)C(=O)OCCCC)c1,2.1556100397968727 -O=C(OCC)c(c(ccc1)C(=O)OCC)c1,19.95615854702247 -O=C(OC(OC(OC1C)C)C1)C,0.7175892491582392 -Oc(c(ccc1)C)c1C,0.04911414454620167 -Oc(ccc(c1C)C)c1,0.1145996706078039 -O=C(OCC)C=C,2.477130986890983 -c(cccc1)(c1)CC,3.843074459567654 -OCCO,4.027850816139244 -c(ccc1C(=O)OCC(=O)OCC)cc1C(=O)OCC,8.919866912731305 -O=C,2.73096831477274 -O=C(O)C=CC(=O)O,9.313172081918696 -OCC(O)CO,74.73899985905678 -O=C(OC)c(ccc(O)c1)c1,9.858865736182537 -O=C(OCCC)c(ccc(O)c1)c1,8.324062177858794 -CC(CCC(=O)(O))C3CCC4C2CCC1CC(O)CCC1(C)C2CCC34C,1.3277652171188237 -OC(C(CCC1C)C(C)C)C1,3.7948308388559964 -O=C(O)C(=C)C,2.8807316686731115 -O=C(OC)c(c(O)ccc1)c1,2.366127776683809 -Oc(cccc1)c1,3.655248831064175 -O=C(OCCC)c(cc(O)c(O)c1O)c1,4.071644352421931 -OCC(O)C1C(O)=C(O)C(=O)O1,8.82332300652517 -c(cccc1)(c1)C=C,0.20163396483810905 -O=Cc(occ1)c1,0.624453213155231 -NCCNc1cccc2ccccc12,0.4241543329029509 -CN(C)(C)CCCl,2.2427665071284903 -O=C(Nc(ccc(c1)C(=O)CCl)c1)C,7.465334624174738 -c(ccc(c1)Cl)(c1)C(c(ccc(c2)Cl)c2)C(Cl)(Cl)Cl,0.09027148189044054 -CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)(O),0.03228091610123117 -O=N(=O)C(=CC=C1OC)C=C1N=NC(C(O)=C2C(=O)NC(=CC=C4)C=C4N(=O)=O)=C(C=C3)C(=C2)C=C3,4.308389780762046 -O=N(=O)C(C=C1)=CC(OCCO)=C1NCCO,0.9453881078267568 -Cc1cccc(CC)c1N(C(=O)CCl)COCC,0.18534506246313948 -C1=C(C(=CC=C1OC2=CC=C(C=C2Cl)C(F)(F)F)[N+](=O)[O-])C(=O)[O-].[Na+],0.46919094173712006 -CCc1cccc(CC)c1N(COC)C(=O)CCl,0.05560351873894184 -O=C(Nc(ccc(OCC)c1N)c1)C,6.1010029534002825 -Oc(ccc(N)c1)c1,6.286318149278613 -CC(N)CC(=CC=C1)C=C1,0.036980547196719206 -O(c(ccc(c1)C=CC)c1)C,2.3211612715861247 -COc1ccc(N)cc1,3.8488877932280037 -O=C(O)c(c(N)ccc1)c1,20.060380944519448 -Clc2cccc(c2)c1ccccc1,0.021202965065040626 -O=C(NC(C(=O)OC)Cc(cccc1)c1)C(N)CC(=O)O,0.4994850207500349 -n1c2ccc(Cl)cc2ncc1Oc3ccc(OC(C)C(=O)OCC)cc3,0.009924832004782804 -COC(=O)NS(=O)(=O)c1ccc(N)cc1,0.7817895162025876 -S=P(OC)(OC)SCN1N=Nc2ccccc2C1(=O),0.0011344859332252924 -CNC(=O)Oc1ccccc1OC(C)C,0.23895810443138246 -CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2,0.08510674803234901 -O=S(O)(=O)C(=CC=C1)C=C1CN(CC)=C(C=C2)C=CC2=C(C(C=C3)=CC=C3N(C)C)C(C=C4)=CC=C4N(CC)CC(C=C5)=CC(=C5)S(=O)(=O)O,1.009963174498295 -c(c(cccc1)c1)(cccc2)c2,1.6211890708511503 -BrC(Cl)Cl,0.7935120501519148 -ClC(Cl)C(Cl)(Cl)SN2C(=O)C1CC=CCC1C2(=O),0.034377949341570596 -O=C(Oc(c(c(ccc1)cc2)c1)c2)NC,0.07752660703214034 -CC1=C(SCCO1)C(=O)Nc2ccccc2,0.1274956638724717 -ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,0.0006588923229380624 -O=C(O)CCl,0.317470328693963 -ClC(=CC=C1N)C=C1,0.047032433723070206 -CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,0.026531991066147967 -n1c(OC)nc(C)nc1NC(=O)NS(=O)(=O)c2ccccc2Cl,0.06987675250196507 -OS(=O)(=O)C(C(=CC=C2)C1=C2)=CC=C1N=NC(C(O)=C3N=NC(C(C=C5)=C4C=C5)=CC=C4S(O)(=O)=O)=CC(=C3O)CO,1.2093346835379808 -S=P(OCC)(OCC)Oc1ccc2C(C)=C(Cl)C(=O)Oc2c1,0.0022052807653206367 -CNP(=O)(OC)Oc1ccc(cc1Cl)C(C)(C)C,0.013712205220154254 -C(C1C2C(C(O)C(O1)OC8C(OC(OC7C(OC(OC6C(OC(OC5C(C(C(OC4C(C(C(OC3C(C(C(O2)OC3CO)O)O)OC4CO)O)O)OC5CO)O)O)C(C6O)O)CO)C(C7O)O)CO)C(C8O)O)CO)O)O,1.4097112541302337 -n1c(N)nc(N)nc1NC2CC2,0.09026150563412319 -COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl,1.5061863289853148 -O=C(O)C(Cl)(Cl)C,0.1970361896096669 -Nc1cc(N)c(O)cc1,0.2013846888993215 -FC(F)(Cl)Cl,1.2405561628307704 -ClCCl,0.5887022388817106 -O=P(OC)(OC)OC=C(Cl)Cl,0.010408382386229365 -OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,0.05398319600278186 -ClC4=C(Cl)C5(Cl)C3C1CC(C2OC12)C3C4(Cl)C5(Cl)Cl,0.0001312648375209092 -CN(=C1C(C=C2)=CC=C2)N(C)C(=C1)C(C=C3)=CC=C3,0.49533572071941767 -O=C(NC(=O)c(c(F)ccc1)c1F)Nc(ccc(c2)Cl)c2,0.025749696789273527 -CC1=C(C)S(=O)(=O)CCS1(=O)=O,0.047557630336441704 -O=C(NC)CSP(OC)(OC)=S,0.001090477150926923 -COc1ccc(N)c(OC)c1,1.8018201517132568 -COP(=O)OC,0.9086866261501474 -CC(=C(N(=O)=O)C=C1N(=O)=O)C=C1,0.1866762157041476 -CN(C)C(=O)C(c1ccccc1)c2ccccc2,0.1253592168358431 -N(c(cccc1)c1)c(cccc2)c2,0.1831908345016181 -C(C=C1)(=N(C=C1)CC2)C(N2=C3)=CC=C3,0.002984821462389602 -CCOP(=S)(OCC)SCCSCC,0.00036442614798427517 -NC(=S)NNC(N)=S,6.303842268414009 -O=C(N(C)C)Nc(ccc(c1Cl)Cl)c1,0.02574063309087087 -O=P(O)(O)CCCl,1.0381053884590363 -O=C(OCC)C(O1)C1(c(cccc2)c2)C,0.8485352051922984 -COC(=O)NC(=NC1=C2)NC1=CC(=C2)SC(C=C3)=CC=C3,0.050108966959550236 -CN1C=C(c2ccccc2)C(=O)C(c3cc(C(F)(F)F)ccc3)=C1,0.07591497971688389 -c1cc(C(F)(F)F)cc(Cl)c1NC(C(C)C)C(=O)OC(C(#N))c2cccc(Oc3ccccc3)c2,0.004971041792562443 -S=P(OCC)(Sc1ccccc1)CC,0.006414179135682054 -n1c(C)nc(OC)nc1NC(=O)NS(=O)(=O)c2ccsc2C(=O)OC,0.06453419527613821 -C(C(C(C(C1Cl)Cl)Cl)Cl)(C1Cl)Cl,0.017192183580611947 -O=N(=O)N(CN1N(=O)=O)CN(C1)N(=O)=O,0.006753217705640206 -O=C(N=C(N(C1(=O))C)N(C)C)N1C(CCCC2)C2,0.19816672003956992 -n(c(c(ccc1)cc2)c1O)c2,0.9851335765350275 -c1cc(Cl)cc(Cl)c1C(OCC=C)Cn2cncc2,0.13459866849613178 -COc1cccc(OC)c1C(=O)Nc2onc(C(C)(CC)CC)c2,0.15252975563710267 -n1c(OC)cc(OC)nc1NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC,0.7529208210920754 -CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,0.1513509494941276 -CN(C)(CCC1)CC1,1.3133857473480115 -O=P(SCCCC)(SCCCC)SCCCC,0.003974424546249488 -COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C,0.22374845318219344 -S=P(OC)(OC)SCN1C(=O)SC(OC)=N1,0.006615259485207122 -CNC(=O)ON=C(C)SC,0.061648442359631114 -COP(=S)(OC)Oc1ccc(cc1)N(=O)(=O),0.0009498211030948742 -O=C1N(N)C(SC)=NN=C1C(C)(C)C,0.06999926640768805 -COP(=O)(OC)OC(Br)C(Cl)(Cl)Br,0.005252325112411575 -OC(C(N)C1O)C(C)OC1(C)OC(CC(C)(C(C2O)C(O)=O)OC(O)(C2)CC(O)CC(C)(O3)C3C=C4)C=CC=CC=CC=CCC(C)OC4=O,0.10172294366080416 -O=N(=O)c(ccc(c1N)C)c1,0.05257947683683445 -O=N(=O)c(c(N)ccc1N)c1,0.5681125108300529 -O=C(O)C(=C(N)C=C1N(=O)=O)C=C1,6.506215164982792 -O=N(=O)c(c(c(ccc1)cc2)c1)c2,0.952831491808421 -c12c(N=Nc3ccccc3)c(O)ccc1cc(S(=O)(=O)O)cc2,0.5482080783455129 -CC(C)Oc1cc(c(Cl)cc1Cl)N2N=C(OC2(=O))C(C)(C)C,0.01448347496337274 -CNC(=O)ON=C(SC)C(=O)N(C)C,0.02280382932847922 -CCOP(=S)(OCC)Oc1ccc(cc1)N(=O)=O,0.012016729209736626 -Oc(c(c(c(c1Cl)Cl)Cl)Cl)c1Cl,0.037546481605565646 -NC(=N)NC(=N)NCCc1ccccc1,0.35564719019232227 -COP(=S)(OC)SCN2C(=O)c1ccccc1C2(=O),0.06302765174348351 -CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC,0.041042640567373466 -ClC3C6(Cl)C4C2C1OC1C5C2C3(Cl)C(Cl)(C45)C6(Cl)Cl,0.0018377077252927285 -O=C(OC(=O)c1cccc2)c12,8.000509872156579 -Nc1c(Cl)c(Cl)nc(C(=O)(O))c1Cl,0.24848916516834604 -CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1,0.008187766847509327 -Nc3ccc2cc1ccc(N)cc1nc2c3,0.22461542255370148 -CCC(=O)Nc1ccc(Cl)c(Cl)c1,0.09170952329114665 -Clc1cc(Cl)ccc1C2(Cn3ncnc3)OC(CCC)CO2,0.07305234130123987 -O=C(N)c(nccn1)c1,6.408762052980724 -Oc1cc(O)c2C(=O)C(O)=C(c3cc(O)c(O)cc3)Oc2c1,6.729846937340625 -CCC(O)(C)C#C,0.4687038301254292 -CC(C(NCC)=C1)=CC(C1=O2)=C(C(C2=C3)=CC(C)=C3NCC)C(=CC=C4)C(=C4)C(=O)OCC,0.027053999376946393 -O=C(NS(=O)(=O)c1cccc2)c12,19.66323569952698 -c1cc(Cl)ccc1C2SC(=O)N(C(=O)NC3CCCCC3)C2C,0.4534134152107278 -n(c(nc(n1)NCC)NCC)c1Cl,0.024794616275543167 -O=[S](NC1CCCCC1)(=O)[O-].[Na+],17.900880706433757 -O=C(OCC(C1OCC(C1O)O)O)CCCCCCCCCCC,19.866710908558982 -O(CC1O)C(C1O)C(O)COC(=O)CCCCCCCCCCCCCCCCC,16.727105323218392 -O=S(=O)(Nc(nc(cc1C)C)n1)c(ccc(N)c2)c2,0.1185642260256668 -CCNc1nc(NC(C)(C)C)nc(SC)n1,0.06214876624755196 -Oc(c(cc(c1)C(C)(C)C)Cl)c1,1.1697007223226876 -C(C(Cl)Cl)(Cl)Cl,0.6434343954290421 -COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl,0.2732525485855328 -CCN(CC)C(=O)SCc1ccc(Cl)cc1,0.019396419126203733 -COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.09345959256991566 -N(C(=S)SSC(N(C)C)=S)(C)C,0.06238747379310184 -c12OC(CCCC(C)CCCC(C)CCCC(C)C)(C)CCc1c(C)c(OC(=O)C)c(C)c2C,4.230630449818821 -Cc1cc(N)ccc1NOS(O)(=O)=O,0.8431459792705229 -C(Br)(C(Br)(Br)Br)C1C(C)(C)C1C(=O)OC(C(#N))c2cccc(Oc3ccccc3)c2,0.004511229623452476 -O=C(O)COc(c(cc(c1Cl)Cl)Cl)c1,0.03914162418169542 -FC(F)(F)C(=CC(N(=O)=O)=C1N(C(C)C)C(C)C)C=C1N(=O)=O,0.1193036069506878 -Cc1cc(C)c(N)cc1C,0.46595489467866197 -CC(O)(C(O)C(O1)C)CC1(C)OC(C(C)O2)C(C(O)C2(C)OC(C(C)C(O)CC(=O)OC(CC)C3COC(C(OC)C4OC)OC(C)C4O)C(CC=O)CC(C)C(=O)C=CC(=C3)C)N(C)C,0.5295750507618869 -c1c(Cl)cc(Cl)cc1N2C(=O)C(C)(C=C)OC2(=O),0.25479642918707424 -O=C(OC(CCCC(O)CCCCCc1cc(O)cc2O)C)c12,0.0006203550142861557 -COC(=O)C1(C2=CC=CC=C2C3=C1C=C(C=C3)Cl)O,0.546052144921948 -CC(C(=O)O)OC1=CC(=CC=C1)Cl,0.4984573741185779 -P12P3P1P23,11.881024454247726 -C(CO)O,6.44456130582279 -CCCCOCC(C)OCC(C)O,0.6726932978936081 -C(CO)O,32.22280652911395 -C(CO)O,14.822491003392418 -[O-][As](=O)([O-])[O-],0.044990181342823746 -[Si](CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F,0.007657523838454347 -N(C(=S)SSC(N(C)C)=S)(C)C,0.04783039657471141 -COP(=O)(N)SC,0.006377136181192296 -N(C(=S)SSC(N(C)C)=S)(C)C,0.02275063210988447 -COP(=O)(NC(=O)(C))SC,0.1910836440808347 -C1=CC=C(C=C1)NC(=O)NC2=CN=NS2,0.13620822278144273 -CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C,0.0014476216329334154 -CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC,0.02821118623185781 -CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,0.004928609097226672 -NC(CCCC1)C1,0.5898716318329822 -CN1C=C(c2ccccc2)C(=O)C(c3cc(C(F)(F)F)ccc3)=C1,0.09868947363194906 -ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,0.0012201709684038192 -CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,0.5120902983161549 -OC(=O)CNCP(O)(O)=O,5.914602135360638 -C1CNC(=S)N1,0.0022514113902230405 -O=C(N(OC)C)Nc(ccc(c1Cl)Cl)c1,0.025090939601491648 -C1=CC=C2C(=C1)NC(=S)S2,4.484270077422418 -CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl,0.028523647387248163 -c(c(c(c(c1Cl)Cl)Cl)Cl)(c1Cl)Cl,0.0010183220720957982 -COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl,0.36163948246786254 -C1=CC(=CC=C1Cl)Cl,2.0407891160090657 -CC(C)OC(=O)NC1=CC(=CC=C1)Cl,2.340158076742021 -COP(=O)(OC)OC=C(Cl)Cl,0.009729574839301364 -CCOP(=S)(OCC)Oc1ccc(cc1)N(=O)=O,0.001442007505168395 -CNC(=O)N(C)c1nnc(s1)C(C)(C)C,0.1751969016077557 -CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,0.7386866446932013 -CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl,0.03828744186371015 -CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C,0.028782768433509572 -C(#N)c(c(c(c(c1C(#N))Cl)Cl)Cl)c1Cl,0.015042627044387032 -O=C(OCC)C(O)(c(ccc(c1)Cl)c1)c(ccc(c2)Cl)c2,0.056582904287311254 -O=C(N(C)C)Nc(ccc(c1)Cl)c1,0.6292491939569526 -O=C(N(SC(Cl)(Cl)Cl)C(=O)C1CC=CC2)C12,0.3326798171006209 -CCc1cccc(C)c1N(C(C)COC)C(=O)CCl,0.5285529966699751 -C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,0.022620602193004043 -CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N,0.005193343612552968 -C(C(C(C(C1Cl)Cl)Cl)Cl)(C1Cl)Cl,0.015816808894162992 -COP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl,0.15549919159080278 -C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl,2.7404023436797774e-05 -CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C,0.06389160712181856 -CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21,0.36852210915226874 -ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,0.0006696708996117783 -CC(=CC(=O)NC)OP(=O)(OC)OC,0.0020164586039868883 -CC(C)C1(C)N=C(NC1(=O))c3nc2ccccc2cc3C(=O)(O),0.06423944765895072 -CC(C)Nc1nc(Cl)nc(NC(C)C)n1,0.21766590408142725 -CC(C(=O)O)(Cl)Cl,0.3497269961122948 -CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C,0.017269661060105742 -O=C(NC)CSP(OC)(OC)=S,0.02180954301853846 -C12C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl,1.9565721591442926e-05 -COC(=O)C1=CC=CC=C1C(=O)OC,10.299509743336218 -CCOP(=S)(OCC)SCSC(C)(C)C,0.0001733519259052264 -CCC(C)SP(=O)(OCC)SC(C)CC,0.0009245829520661433 -CCOP(=S)(OCC)SCSC(C)(C)C,0.006934077036209056 -C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl,0.016019730669239306 -O=C(O)C(C(C(=O)O)C(O1)CC2)C12,0.6177415369409439 -O=C(Oc(c(OC(C1)(C)C)c1cc2)c2)NC,0.022598624918870935 -Oc(c(c(c(c1)Cl)Cl)Cc(c(c(cc2Cl)Cl)Cl)c2O)c1Cl,0.012287924553322883 -CC1(CON(C1=O)CC2=CC=CC=C2Cl)C,0.08969617860069455 -CCC(C)N1C(=O)C(=C(NC1=O)C)Br,0.23935747721355113 -CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC,0.0067481385934503825 -CNC(=O)OC1=CC=CC(=C1)N=CN(C)C,0.056495719658295813 -CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2Cl)Cl)NS(=O)(=O)C,0.1730416993562668 -CCOP(=S)(CC)SC1=CC=CC=C1,0.020298035239500172 -CCOP(=S)(OCC)SC(CCl)N1C(=O)C2=CC=CC=C2C1=O,0.006347661308292605 -N1CC(C)(C)CNC1=NN=C(C=Cc2ccc(C(F)(F)F)cc2)C=Cc3ccc(C(F)(F)F)cc3,0.010111728942243584 -CC1=C(C(=C(C(=C1F)F)COC(=O)C2C(C2(C)C)C=C(C(F)(F)F)Cl)F)F,0.010985502766340648 -CC1=CC(=C(C=C1)N=CN(C)C=NC2=C(C=C(C=C2)C)C)C,0.034764112883573416 -S=P(OC)(OC)SCN1C(=O)SC(OC)=N1,0.002646103794082849 -CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl,0.04102878665011248 -S=P(OC)(OC)SCN1N=Nc2ccccc2C1(=O),0.0070905370826580775 -CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F,0.19051986050321804 -O=C(N(S(=O)(=O)Nc1cccc2)C(C)C)c12,0.16647322477947293 -CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1,0.04519647299825149 -O=C(ON=CC(SC)(C)C)NC,0.0005255875464343458 -ClC(Cl)(Cl)CC1(OC1)c2cc(Cl)cc(Cl)c2,0.09362507489225783 -CCC1CCCC(C(C(=O)C2CC3C(C2CC(=O)O1)CCC4C3CC(C4)OC5CC(C(C(C5OC)OC)OC)C)C)OC6CCC(C(O6)C)N(C)C,0.03269690443692089 -CC(C)(C)C(=NOC(=O)NC)CSC,0.027483045022449526 -CON=C(CC1=CN=CC=C1)C2=C(C=C(C=C2)Cl)Cl,0.15245767876475944 -CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C,0.7543614918373561 -C1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl,0.03331771398901528 -CCCOC(=O)C1=CN=C(C=C1)C(=O)OCCC,0.9949124950582696 -CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC3COC3)C,0.20422574060250331 -C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl,0.1403669879303106 -CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl,0.03336499327732185 -CC(C)CC1=C(C(=NC(=C1C(=O)SC)C(F)(F)F)C(F)F)C(=O)SC,0.00904300899921393 -CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C,0.05279126047017867 -CC1=CC(=C(C=C1)C(=O)OC)C2=NC(C(=O)N2)(C)C(C)C,0.1734054330003024 -COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl,0.009301369775521361 -CC(C)CC1=C(C(=NC(=C1C(=O)OC)C(F)F)C(F)(F)F)C2=NCCS2,0.11151045196043953 -CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl,0.029112705155716945 -CC(C)=CC3C(C(=O)OCc2coc(Cc1ccccc1)c2)C3(C)C,0.3693416417277341 -CCCSP(=S)(OCC)OC1=CC=C(C=C1)SC,0.03566479582586673 -CC1=CC(=C(C(=C1)OC(=O)NC)C)C,0.30635114568601185 -CC1=CC=CC=C1COC2CC3(CCC2(O3)C)C(C)C,0.5466515334085721 -CC1=C2C(=CC=C1)SC3=NN=CN23,0.16381576159162972 -CCC(=C1C(=O)CC(CC1=O)CC(C)SCC)NOCC=CCl,0.27784628232227476 -CCCN(CCC)C(=O)SCC,0.047538995974292175 -CC(C)OC(=O)C=C(C)C=CCC(C)CCCC(C)(C)OC,0.14816176662421726 -COP(=S)(OC)Oc1ccc(SC)c(C)c1,0.013473309158983109 -COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC,0.11937399144446861 -CCSC(=O)N(CC(C)C)CC(C)C,0.4600420791288938 -CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1,0.03773457509937652 -CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C,0.42802021191337764 -CC1=CC(=CC(=C1C)C)OC(=O)NC,0.05174850433885335 -CCOP(=S)(OCC)SCSC1=CC=C(C=C1)Cl,0.0029165972759564764 -C1CN(CCN1C(C(Cl)(Cl)Cl)NC=O)C(C(Cl)(Cl)Cl)NC=O,0.22990526799413355 -C(=CC=C1)(C2=C1)NC(=N2)C(=CS3)N=C3,0.009938002763559809 -C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-],0.423248605734443 -CCCC(=NOCC)C1C(=O)CC(CC1=O)CC(C)SCC,0.05056765552287047 -ClC2(Cl)C4(Cl)C1(Cl)C5(Cl)C(Cl)(Cl)C3(Cl)C1(Cl)C2(Cl)C3(Cl)C45Cl,0.0012831252531881078 -CCN(C1CCCCC1)C(=O)SCC,0.013930451940080113 -CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl,0.5494924735209582 -C(C(=O)O)OC1=NC(=C(C(=C1Cl)N)Cl)F,1.9605490478397496 -CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C,0.316253365684832 -C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br,0.017185416964361586 -C1=NNC(=N1)N,0.029733601205328832 -C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)F)Cl)F,0.06822190749765324 -C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl,0.008246440044818412 -FC(F)(F)C(=CC(N(=O)=O)=C1N(C(C)C)C(C)C)C=C1N(=O)=O,2.982590173767195 -CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C,0.24800936112986982 -C1=CC(=C(C(=C1)Cl)C#N)Cl,0.014533918736325764 -C1C(O1)COC2=CC=CC=C2C3=CC=CC=C3,2.209744922072461 -CC1=CC=CC=C1OCC2=CC=CC=C2C(=NOC)C(=O)OC,1.1967534090558043 -O=N(=O)C(C(=C1N(=O)=O)N(C(C)C)C(C)C)=CC(=C1)S(=O)(=O)N,0.10642121227099519 -C1=CC(=C(C2=NC=C(C=C21)Cl)C(=O)O)Cl,3.127347059508829 -CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl,0.13932359364492994 -CCCN(CCCl)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0.5690227874227859 -C1=CC=C(C=C1)C2=CC=CC=C2O,5.875192118782284 -O=C(N(C)C)Nc(cccc1C(F)(F)F)c1,0.06459882942614491 -C1=CC(=NC(=C1)Cl)C(Cl)(Cl)Cl,0.00433075312836283 -Clc1cc(Cl)cc(Cl)c1OCCN(CCC)C(=O)n2cncc2,0.01991156926953532 -CC1=CC(=C(C=C1NC(=O)C)NS(=O)(=O)C(F)(F)F)C,0.08894826507859208 -C(=C(I)I)(I)I,0.09404873168890004 -C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F,0.0001372533562906347 -O=C(N(C)C)Nc(ccc(c1Cl)Cl)c1,0.026813159469657157 -CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C,0.08101639130242413 -CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3,0.03201059303080734 -CC(C)N(C(=O)CCl)c1ccccc1,0.10865048725491992 -CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C,1.913681483026602 -CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C,0.05566320606558952 -CN1CN(C(=S)SC1)C,0.18486987933542975 -ClC(Cl)=CC1C(C)(C)C1C(=O)OC(C(#N))c2cccc(Oc3ccccc3)c2,0.18015976856532 -ClC2C1OC1C3C2C4(Cl)C(=C(Cl)C3(Cl)C4(Cl)Cl)Cl,0.0005137200498000217 -CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=O,0.046003238627999404 -CCCN(CCC)C1=C(C=C(C(=C1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-],0.08392957349588569 -C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N,0.11875847044790469 -CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O,0.05165383561566402 -CC1=C(C=CC=C1COC(=O)C2C(C2(C)C)C=C(C(F)(F)F)Cl)C3=CC=CC=C3,0.011824026606519262 -C(=CC=C1)(C2=C1)NC(=N2)C(=CS3)N=C3,0.19876005527119617 -C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-],0.7245881151318344 -CC1=C(C=C(C=C1C(=O)N)[N+](=O)[O-])[N+](=O)[O-],0.027758250773633555 -CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F,1.5465050300849357 -OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,0.006747899500347733 -O=P(O)(O)CCCl,3.0866333550182015 -CN(C(=O)NC1=CC=C(C=C1)Br)OC,0.048243951057630914 -CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC,0.0832475217878744 -CC(C)(C)C1=NN=C(S1)N2C(CN(C2=O)C)O,0.19506513302817866 -S=P(OCC)(OCC)Oc1ccc2C(C)=C(Cl)C(=O)Oc2c1,0.004686221626306353 -COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c2nc(OC)nc(C)n2,0.031614325062739264 -C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl,0.004173898399328111 -CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-],0.001659247904766673 -COc1c(Cl)ccc(Cl)c1C(=O)(O),0.520273850439093 -CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C,0.004948543461552866 -C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl,0.007943029289634557 -c1ccc2nc(NC(=O)OC)n(C(=O)NCCCC)c2c1,0.3961177430023906 -CCOC(=O)COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-],0.05583516191627437 -CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O,0.07409262028018154 -CCNC(=O)NC(=O)C(=NOC)C#N,0.15289185096526225 -CCOC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-],0.11058877880543937 -CC1=NC=C(N1CCO)[N+](=O)[O-],0.8764039114257128 -O=C(N(SC(Cl)(Cl)Cl)C(=O)c1cccc2)c12,1.6860133324539086 -CC(C)(C)c2ccc(OC1CCCCC1OS(=O)OCC#C)cc2,0.2853292217012047 -CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O,0.014958135679074535 -CC(C)(C)C(C(=CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O,0.15327033840680634 -C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,0.001017899767409903 -C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N,0.03374687200243409 -CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C,0.0073074288460468996 -CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3,0.05566064749641608 -CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C,0.0524579222415799 -CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC,0.005005200069191886 -C1=CC(=CC=C1C(CN)O)O,1.6320834707547616 -CC1=C(C(=CC=C1)C)N(C(=O)COC)N2CCOC2=O,0.17965983350851364 -c1c(C(F)(F)F)cccc1N2C(=O)C(Cl)=C(NC)C=N2,0.06174515112035177 -CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],0.16929970598735858 -C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl,0.6459733503975151 -CCCCC1=C(NC(=NC1=O)NCC)C,0.1194525860672606 -n(c(nc(n1)NCC)NCC)c1Cl,0.026282293252075754 -FC(F)(F)C(C=C1N(=O)=O)=CC(N(=O)=O)=C1N(CC)CC(C)=C,0.0375078950368263 -C1CCC(C1)N(CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3,0.0760257762657501 -CS(=O)(=O)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-],0.11395676083924232 -CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl,0.02487724874434851 -CCC1=C(C(=CC=C1)CC)N(CNC(=O)C)C(=O)CCl,0.21058487877925733 -NC(=N)NCCCCCCCCCCCC(OC(=O)C),0.10160268068512719 -C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCCl,1.743505808935165 -CC(C)C(C(=O)OC(C(#N))c2cccc(Oc1ccccc1)c2)c3ccc(Cl)cc3,0.05953797389131243 -CC(C)C1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C(C)C)O,0.08001387248515598 -CCN(CC1=C(C=CC=C1Cl)F)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0.1185590456888386 -CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl,0.17813968959673715 -CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C,0.04563372244789605 -CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC,0.8611255282660666 -CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2,0.14136381415796706 -CC(C)C(C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,0.013290157156772887 -Clc1ccccc1c2nnc(c3ccccc3Cl)nn2,0.06597478470118634 -CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2,0.03318543029523152 -CCC1=C(C(=CC=C1)CC)N(CC(=O)OCC)C(=O)CCl,0.1603572605822803 -c1(O2)c(CC2(C)C)cccc1OC(=O)N(C)SN(CCCC)CCCC,0.06569530810416269 -CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F,0.007825509706097071 -COC1=CC(=C(C=C1Cl)OC)Cl,0.6037074787089276 -CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C,0.039841737145637234 -n(c(nc(n1)NC(C)C)NCC)c1Cl,0.11591071091933607 -CC(C)(C)C(C(=CC1=CC=C(C=C1)Cl)N2C=NC=N2)O,0.13506940531624406 -CCCCCCCCc1cc(N(=O)(=O))c(OC(=O)C=CC)c(c1)N(=O)(=O),0.1372145060102149 -c1cc(OC(F)(F)F)ccc1C(O)(C(C)C)c2cncnc2,0.038746408312020406 -COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.07768900686568829 -C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O,0.34563108073944815 -CCCN(CC1CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0.014397200032537671 -CCOC(=O)C(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-],0.10827828411229923 -CCSC(=O)N1CCCCCC1,0.07907000434271044 -CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C,0.13618183361575933 -ClC(Cl)C(Cl)(Cl)SN2C(=O)C1CC=CCC1C2(=O),0.04297243667696324 -COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC(F)F)OC(F)F,0.2989300503468667 -CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O,0.08452667530010859 -CC1=C(C=CC(=C1)Cl)OCC(=O)O,0.019938294964743114 -COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC,0.15431812608561873 -C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)(C3=CN=CN=C3)O)Cl,0.00694452873492003 -[O-]Br(=O)=O,0.047692690196102956 -OP(=O)OCC,3.6347465046005896 -COP(N)(=O)SC,0.000708570686799144 -CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1,0.004944661980269876 -CCOP(=S)(OCC)SCCSCC,0.00014577045919371006 -CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.005201883810203027 -O=C(OCC(CCCC)CC)CCCCC(=O)OCC(CCCC)CC,4.047856676081442 -CN(C=Nc1ccc(C)cc1C)C=Nc2ccc(C)cc2C,0.03408246361134649 -[C@@]14([C@@H]5OCC1=CC=C[C@@H]([C@H](O[C@H]2C[C@@H]([C@H]([C@@H](O2)C)O[C@H]3C[C@@H]([C@H]([C@@H](O3)C)O)OC)OC)C(=CC[C@@H]6C[C@H](OC([C@@H]4C=C([C@H]5O)C)=O)C[C@]7(O6)O[C@@H]([C@H](C=C7)C)[C@H](CC)C)C)C)O,0.002290749011702154 -O=C(N(S(=O)(=O)Nc1cccc2)C(C)C)c12,0.14566407168203882 -S=P(OC)(OC)SCN1C(=O)SC(OC)=N1,0.004134537178254452 -C(#N)Cl,1.1387594679715767 -C(#N)Br,1.1517974649126617 -C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,0.0007052459522690667 -c(cccc1)(c1)C(C)C,2.7539366734341955 -CCCN(CCC)C(=O)SCC,0.13205276659525605 -NC(CCCC1)C1,0.6049965454697254 -ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,0.014642051620845831 -CC(C)OC(=O)NC1=CC(=CC=C1)Cl,4.680316153484042 -COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl,0.030123726579706293 -COC(=O)C1=CC=C(C=C1)C(=O)OC,0.6437193589585136 -N(C(=S)NC1)C1,0.0024471862937206963 -O=C(N(OC)C)Nc(ccc(c1Cl)Cl)c1,0.010036375840596658 -c(cccc1)(c1)C=C,2.736460951374337 -COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(OC)nc(C)n2,0.655542030995076 -C1=CC(=CC=C1N)Cl,0.09798423692306293 -FC(F)(F)C(Cl)=CC1C(C)(C)C1C(=O)OC(C(#N))c2cc(Oc3ccccc3)ccc2,0.02778703580061686 -C(Cl)(Br)Br,0.13683526627950768 -C=C(Cl)Cl,0.14441434207714035 -C(C=CCl)Cl,0.045958425107502164 -COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl,0.1366262742927664 -Oc(ccc(c1)C(c(ccc(O)c2)c2)(C)C)c1,0.21902317939829427 -O=C(OCc(cccc1)c1)c(c(ccc2)C(=O)OCCCC)c2,1.504675539130048 -O=C(NCCCC1)C1,1.10465364954589 -c(cccc1)(c1)Cl,1.0661274430976688 -C(Cl)(Cl)Cl,0.502606685808163 -ClCCl,0.6190792744080069 -C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,0.000328162093802273 -OCCO,16.111403264556976 -O=C(C=C(CC1(C)C)C)C1,1.295160023171064 -C(F)(Cl)(Cl)Cl,2.540618964665013 -CCc1cccc(CC)c1N(COC)C(=O)CCl,0.05189661748967905 -c1ccccc1c2c(C)c(COC(=O)C3C(C)(C)C3C=C(Cl)C(F)(F)F)ccc2,0.011824026606519262 -n1c(Cl)cc(OC)nc1NC(=O)NS(=O)(=O)c2ccccc2C(=O)OCC,0.30133493788161053 -O=C(NC(=O)c(c(F)ccc1)c1F)Nc(ccc(c2)Cl)c2,0.02510595436954169 -c(cccc1)(c1)CC,2.741016342485753 -O=C(N(SC(Cl)(Cl)Cl)C(=O)c1cccc2)c12,0.1348810665963127 -Clc1cc(C(F)(F)F)cnc1Oc2ccc(OC(C)C(=O)OC)cc2,0.0026615073878255148 -C#N,1.1470716002092851 -ClC(C(OC(C=C2C(=O)OC(C)C(=O)OCC)=CC=C2N(=O)=O)=C1)=CC=C1C(F)(F)F,0.10827828411229923 -c1c(C(F)(F)F)cccc1N2C(=O)C(Cl)=C(NC)C=N2,0.1687700797289615 -O=N(=O)C(C(=C1N(=O)=O)N(C(C)C)C(C)C)=CC(=C1)S(=O)(=O)N,0.12992280391195832 -CN(=CC=C1C(C=C2)=CC=N2C)C=C1,0.019100264469901956 -C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.06245761469536169 -C(=C)Cl,0.020800592400871575 -C1CCC(=O)CC1,9.272184465524795 -CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C,0.07154653735936956 -C1=CC(=O)NNC1(=O),4.460830164062196 -CCSC(=O)N1CCCCCC1,0.010677920910561842 -C(C(Cl)(Cl)Cl)(O)O,0.8161882413029702 -ClC2C1OC1C3C2C4(Cl)C(=C(Cl)C3(Cl)C4(Cl)Cl)Cl,6.421500622500271e-05 -Clc1cc(C(F)(F)F)ccc1Oc2cc(OCC)c(N(=O)(=O))cc2,0.02764719470135984 -c1cc(Cl)ccc1C(C(#N))(CCCC)Cn2ncnc2,0.03407493882440353 -CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.008805487227420639 -CC(C)OC(=O)C(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)O,0.06073132568962639 -C[N+](C)(C)CCCl,1.0602168942789227 -CCC(=C1C(=O)CC(CC1=O)CC(C)SCC)NOCC=CCl,0.2389478027971563 -CC1=NC(=NC(=C1)C2CC2)NC3=CC=CC=C3,0.15801925526767843 -N(c(cccc1)c1)c(cccc2)c2,0.14773454395291782 -CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4,0.044873074905021335 -CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl,0.9662594125910484 -C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N,0.443217671652664 -C(F)(F)(F)c1ccccc1C(=O)Nc2cccc(OC(C)C)c2,0.2690918752347788 -C(CCCCN=C(N)N)CCCNCCCCCCCCN=C(N)N,0.053436074592710235 -C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl,0.0664943030028045 -COC(=O)C12CC3=C(C1=NN(CO2)C(=O)N(C4=CC=C(C=C4)OC(F)(F)F)C(=O)OC)C=CC(=C3)Cl,0.006820319755914397 -CC1=CC=CC=C1OCC2=CC=CC=C2C(=NOC)C(=O)OC,1.1807966969350603 -CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C(=CC=C2)OC)C)C,1.1154252951100516 -C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F,0.07306609422899836 -CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C,0.051834835094095484 -CC(C)(C)C1=C(C=CC(=C1)O)O,1.3536524792656537 -CC(=NOCC1=CC=CC=C1C(=NOC)C(=O)OC)C2=CC(=CC=C2)C(F)(F)F,0.14692519722320194 -COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC,0.02320682656135787 -CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2,0.02848365588181601 -C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)Cl,0.05706818876652619 -CCCC(=C1C(=O)CC(CC1=O)C2CCCSC2)NOCC,0.08603044408485085 -C1CC1NC2=NC(=C(C(=N2)N)C#N)N,0.11566455596376966 -C(C=C1)(=N(C=C1)CC2)C(N2=C3)=CC=C3,0.002933359023382885 -C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N,0.020248123201460456 -CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C,0.05522147585284508 -C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N,0.08906885283592852 -CC1CN(CC(O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C,0.005601647965290344 -C[Si](CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F,0.006341300659739408 -c1cc(Cl)cc(Cl)c1C(OCC=C)Cn2cncc2,0.05047450068604942 -CN(=CC=C1C(C=C2)=CC=N2C)C=C1,0.012988179839533329 -CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,0.29547465787728056 -Clc1cc(Cl)ccc1C2(Cn3ncnc3)OC(CCC)CO2,0.2805209905967611 -C(=CC=C1)(C2=C1)NC(=N2)C(=CS3)N=C3,0.1490700414533971 -CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3,0.0690593023384914 -CC(C)(C)c2ccc(OC1CCCCC1OS(=O)OCC#C)cc2,0.0542125521232289 -CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3,0.4356352632556343 -CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl,0.3880867710275115 -CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O,0.3550120362604561 -c1ccccc1c2c(C)c(COC(=O)C3C(C)(C)C3C=C(Cl)C(F)(F)F)ccc2,0.018918442570430818 -CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C,0.013815728848084595 -CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C,0.02763145769616919 -ClC(Cl)=CC1C(C)(C)C1C(=O)OC(C(#N))c2cccc(Oc3ccccc3)c2,0.12010651237688001 -ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,0.0006100854842019096 -ClC4=C(Cl)C5(Cl)C3C1CC(C2OC12)C3C4(Cl)C5(Cl)Cl,0.0002625296750418184 -C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,0.000656324187604546 -C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,0.016160652565775233 -CCC(=O)Nc1ccc(Cl)c(Cl)c1,0.3484961885063573 -C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-],0.47403843842257615 -C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,0.007126617932723449 -O=C(N(SC(Cl)(Cl)Cl)C(=O)c1cccc2)c12,0.16860133324539087 -CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl,0.00027647194701359843 -CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl,0.033936422812922216 -Clc1cc(Cl)cc(Cl)c1OCCN(CCC)C(=O)n2cncc2,0.013539867103284017 -COP(=O)(NC(=O)(C))SC,0.013648831720059621 -CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl,0.004171650398342553 -CCOP(=S)(OCC)SCCSCC,0.0008017375255654054 -O=P(O)(O)CCCl,0.08304843107672291 -CCCSP(=O)(OCC)SCCC,0.011141416681473747 -CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1,0.005603950244305859 -COP(=S)(OC)Oc1ccc(SC)c(C)c1,0.0025868753585247565 -OC(=O)C(N)CCP(C)(=O)O,0.019323475195614302 -OC(=O)CNCP(O)(O)=O,1.7743806406081915 -CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,1.0897268363577188 -COP(N)(=O)SC,0.002054854991717517 -CC(=CC(=O)OC)OP(=O)(OC)OC,0.001561466365033004 -CCOP(=S)(OCC)SCSCC,0.0006144925612602997 -CCOP(=S)(OCC)SCSC(C)(C)C,0.0002080223110862717 -S=P(OC)(OC)SCN1N=Nc2ccccc2C1(=O),0.00813048252144793 -CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl,0.002852364738724816 -CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,0.019057288509276463 -CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC,0.0015395577035464635 -S=P(OC)(OC)SCN1C(=O)SC(OC)=N1,0.005292207588165698 -CCOP(=S)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O,0.0054376113486863924 -COP(=S)(OC)SCN2C(=O)c1ccccc1C2(=O),0.02836244328456758 -CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C,0.010713392485187262 -CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2,0.004149212048673449 -O=C(Oc(c(c(ccc1)cc2)c1)c2)NC,0.2981792578159244 -CC1=CC(=CC(=C1SC)C)OC(=O)NC,0.041276958181115306 -CNC(=O)ON=C(C)SC,0.12329688471926223 -CCCOC(=O)NCCCN(C)C,3.611885866531256 -COC(=O)NC1=NC2=CC=CC=C2N1,0.3922867840256219 -CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C,0.051618595485714625 -CNC(=O)CCSCCSP(=O)(OC)OC,0.001879329112916984 -N(C(=S)SSC(N(C)C)=S)(C)C,0.04990997903448147 -C1=NNC(=N1)N,0.059467202410657664 -CCCCCCCCc1cc(N(=O)(=O))c(OC(=O)C=CC)c(c1)N(=O)(=O),0.17563456769307506 -C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3,0.0008571117562305596 -O=C(NC(=O)c(c(F)ccc1)c1F)Nc(ccc(c2)Cl)c2,0.022530984690614337 -N(C(=S)NC1)C1,0.012235931468603481 -C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)F)Cl)F,0.06559798797851273 -CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC,0.07537743365466734 -C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3,0.35125671098854394 -CC1(C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)N(C)C)O)O,10.50761860949369 -CC1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2O)I)I)Cl)C(C#N)C3=CC=C(C=C3)Cl,0.015081279803436631 -CN1CC2CC1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F,0.13990757146198934 -C1=CC(=CC=C1C(C#N)C2=C(C=CC(=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl,0.03679735812631385 -CC1=NC=C(N1C)[N+](=O)[O-],0.10628650675790867 -CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F,0.07234386441112595 -CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)NC(=O)C)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O,0.0011109849279118543 -COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=NC(=O)OC)NC(=O)OC,0.08959030532555236 -CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O,1.531109972815908 -COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3,0.006342219438128827 -CC1(C2CC3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O,0.33750750616693714 -C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3,0.09163218547527233 -CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O,0.023460058312320942 -C1=CC(=CC=C1C(C#N)C2=C(C=CC(=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl,0.056422615793681234 -CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)NC(=O)C)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O,0.0027774623197796356 -COP(=S)(OC)Oc1ccc(SC)c(C)c1,0.001616797099077973 -C(C(C(C(C1Cl)Cl)Cl)Cl)(C1Cl)Cl,0.027507493728979118 -C(C(C(C(C1Cl)Cl)Cl)Cl)(C1Cl)Cl,0.013753746864489559 -CC(N(C)C)CN(C(=CC=C3)C1=C3)C(=CC=C2)C(=C2)S1,0.058364575374860554 -C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-],1.159340984210935 -c(cccc1)(c1)C=C,3.8406469492973154 -[O-][N+]2=NC(N3C=CN=C3)=NC1=CC=C(Cl)C=C12,0.050000000745058 -ClC(C=C(C=C1Cl)C(F)(F)F)=C1N2N=C(C(S(C(F)(F)F)=O)=C2N)C#N,0.059000000357628 -CC(C(O)=O)OC2=CC=C(C=C2)OC1=C(Cl)C=C(C(F)(F)F)C=N1,0.100000001490116 -S=P(OCC)(OCC)SCSC(C)(C)C,0.100000001490116 -CCSCSP(OCC)(OCC)=S,0.159999996423721 -CC(OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1)C(OC)=O,0.200000002980232 -S=P(OC)(OC)SCC(NC)=O,0.200000002980232 -S=P(OC)(OC)OC1=CC(C)=C(SC)C=C1,0.200000002980232 -O=P(OC)(OC)SCCS(CC)=O,0.219999998807907 -O=P(OCC)(SC(C)CC)SC(C)CC,0.222000002861023 -O=P(SC)(OC)N,0.289999991655350 -CCS(CCSP(OC)(OC)=O)(=O)=O,0.300000011920929 -O=P(OC)(OC)SCCSCC,0.349999994039536 -O=P(OC)(OC)O/C(C)=C/C(OC)=O,0.349999994039536 -O=C1N(P(OCC)(SC(C)CC)=O)CCS1,0.379999995231628 -CS(C(C=C2Cl)=CC=C2C(C(C(CCC1)=O)C1=O)=O)(=O)=O,0.400000005960464 -O=P(OCC)(OC1=CC=C(SC)C(C)=C1)NC(C)C,0.460000008344650 -O=C(C2=CC=C(S(=O)(C)=O)C=C2[N+]([O-])=O)C1C(CCCC1=O)=O,0.479999989271164 -O=P(SCCC)(OCC)SCCC,0.500000000000000 -S=P(OC)(OC)OC1=CC=C([N+]([O-])=O)C=C1,0.500000000000000 -S=P(OC)(OC)OC1=CC=C([N+]([O-])=O)C=C1,0.550000011920929 -S=P(OC)(OC)SCN1C(SC(OC)=N1)=O,0.639999985694885 -S=P(OC)(OC)OC1=CC(C)=C(SC)C=C1,0.720000028610229 -N4(N=CN=C4)[Sn](C2CCCCC2)(C3CCCCC3)C1CCCCC1,0.790000021457672 -CC2(C)OC1=CC=CC(OC(NC)=O)=C1O2,0.800000011920929 -O=[N+]([O-])C(Cl)(Cl)Cl,1.000000000000000 -S=P(OC1=NC(Cl)=C(Cl)C=C1Cl)(OCC)OCC,1.000000000000000 -ClC1=CC(Cl)=C(OP(OC)(OC)=S)N=C1Cl,1.000000000000000 -O[Sn](C2CCCCC2)(C3CCCCC3)C1CCCCC1,1.000000000000000 -CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC)OC)OC)C)C.C1=CC=C(C=C1)C(=O)O,1.000000000000000 -FC(F)(F)C1=CC=C(N[C@@H]([C@H](C)C)C(OC(C#N)C2=CC(OC3=CC=CC=C3)=CC=C2)=O)C(Cl)=C1,1.000000000000000 -O=C(O)COC1=NC(Cl)=C(Cl)C=C1Cl,1.000000000000000 -O=C(CCC1)C(C(C2=CC=C(S(=O)(C)=O)C(COCC(F)(F)F)=C2Cl)=O)C1=O,1.049999952316280 -C(C(CCl)O)O,1.100000023841860 -O=C(NC)OC1=C(OC(C)(C)C2)C2=CC=C1,1.169999957084660 -FC(F)(F)C(S2)=NN=C2OCC(N(C(C)C)C1=CC=C(F)C=C1)=O,1.200000047683720 -S=P(OCC)(OCC)OC(C=C2)=CC1=C2C(C)=C(Cl)C(O1)=O,1.220000028610230 -ClC1=NC(NCC)=NC(NC(C)(C)C)=N1,1.240000009536740 -CCOP(OC2=NN(C=N2)C1=CC=CC=C1)(OCC)=S,1.299999952316280 -O[Sn](C2CCCCC2)(C3CCCCC3)C1CCCCC1,1.389999985694890 -O=P(OCC)(OCC)O/C(C1=CC=C(Cl)C=C1Cl)=C/Cl,1.500000000000000 -CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)C)C,1.500000000000000 -ClC1=NC(NCC)=NC(NC(C)(C)C)=N1,1.590000033378600 -CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],1.600000023841860 -O=C(N(C)C)NC1=CC(Cl)=C(Cl)C=C1,1.700000047683720 -O=P(OCC)(OC1=CC=C(SC)C(C)=C1)NC(C)C,1.700000047683720 -CC(CC2=CC=C(C(C)(C)C)C=C2)CN1CC(OC(C1)C)C,1.700000047683720 -ClC1=NC(NCC)=NC(NC(C)(C)C)=N1,1.700000047683720 -S=P(OC)(OC)SCN1C(SC(OC)=N1)=O,1.720000028610230 -S=P(OCC)(OCC)SCSP(OCC)(OCC)=S,1.799999952316280 -S=P(OC)(OC)SCN1C(C(C=CC=C2)=C2C1=O)=O,1.799999952316280 -CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C.CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O,2.000000000000000 -OC(C2=C(Cl)C=CC=C2)(C3=CN=CN=C3)C1=CC=C(Cl)C=C1,2.000000000000000 -O=C(N(OC)C)NC1=CC=C(Cl)C=C1,2.000000000000000 -S=P(OC)(OC)OC1=NC(N(CC)CC)=NC(C)=C1,2.099999904632570 -OC(C1=CC=C(Cl)C=C1)(C2=CC=C(Cl)C=C2)C(Cl)(Cl)Cl,2.200000047683720 -O=P(OC)(OC)O/C=C(Cl)\Cl,2.299999952316280 -O=C(SCC1=CC=CC=C1)N(CCC)CCC,2.299999952316280 -O=P(SCCC)(OCC)SCCC,2.440000057220460 -O=P(SC)(OC)NC(C)=O,2.500000000000000 -O=C(N(C1=C(CC)C=CC=C1CC)COC)CCl,2.500000000000000 -NC1=NNC=N1,2.500000000000000 -NC#N,2.500000000000000 -CC1(C)C(/C=C(Br)/Br)C1C(OC(C#N)C2=CC(OC3=CC=CC=C3)=CC=C2)=O,2.500000000000000 -CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC)OC)OC)C)C.C1=CC=C(C=C1)C(=O)O,2.500000000000000 -OC(C2=C(Cl)C=CC=C2)(C3=CN=CN=C3)C1=CC=C(Cl)C=C1,2.500000000000000 -O=C(OC(C#N)C3=CC(OC4=CC=CC=C4)=C(F)C=C3)C(C(C)2C)C2/C=C(Cl)/C1=CC=C(Cl)C=C1,2.500000000000000 -CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],2.500000000000000 -S=P(OC)(OC)OC1=CC=C([N+]([O-])=O)C=C1,2.500000000000000 -N#C/N=C1SCCN/1CC2=CC=C(Cl)N=C2,2.500000000000000 -CN(C)C(S[Zn]SC(N(C)C)=S)=S,2.500000000000000 -C[N+](C=C2)=CC=C2C1=CC=[N+](C)C=C1,2.549999952316280 -S=P(OC)(OC)SCN1N=NC(C=CC=C2)=C2C1=O,2.700000047683720 -O=C(OC(C)1C=C)N(C2=CC(Cl)=CC(Cl)=C2)C1=O,2.700000047683720 -O=C2C(N)=C(Cl)C(C1=CC=CC=C12)=O,2.890000104904170 -O=S3OCC1C(CO3)C2(Cl)C(Cl)=C(Cl)C(Cl)1C(Cl)2Cl,2.900000095367430 -[N+]12=CC=CC=C1C3=[N+](C=CC=C3)CC2,2.910000085830690 -O=C(OC(C)(C)C)C1=CC=C(CO/N=C/C2=C(OC3=CC=CC=C3)N(C)N=C2C)C=C1,3.000000000000000 -CCNC1=NC(NC(C)C)=NC(Cl)=N1,3.099999904632570 -O=C(OCC)NC1=CC=CC(OC(NC2=CC=CC=C2)=O)=C1,3.200000047683720 -N#CC(C(Cl)=CC=C1)=C1Cl,3.200000047683720 -CCS(=O)C1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N,3.200000047683720 -N#CC1=C(Cl)C(Cl)=C(Cl)C(C#N)=C1Cl,3.299999952316280 -FC(C(F)(OCC(C2=CC=C(C=C2Cl)Cl)CN1C=NC=N1)F)F,3.400000095367430 -N#CC1=CC(F)=C(OC2=CC=C(OC(C)C(OCCCC)=O)C=C2)C=C1,3.440000057220460 -CN(CN1C)CSC1=S,3.599999904632570 -OC(C2=C(Cl)C=CC=C2)(C3=CN=CN=C3)C1=CC=C(Cl)C=C1,3.599999904632570 -ClC1=CC=C(C2=NN(C(N(C(OC)=O)C4=CC=C(OC(F)(F)F)C=C4)=O)COC(C(OC)=O)2C3)C3=C1,3.599999904632570 -O=C(OC(C(C)(C)C)=N2)N2C1=CC(OC(C)C)=C(Cl)C=C1Cl,3.599999904632570 -CC1=C(C2=NOCC2)C(S(C)(=O)=O)=CC=C1C(C3=C(O)N(C)N=C3)=O,3.599999904632570 -BrC1=CC=C(NC(N(C)OC)=O)C=C1,3.720000028610230 -C[N+](C=C2)=CC=C2C1=CC=[N+](C)C=C1,3.750000000000000 -CC(C(OCCCC)=O)OC1=CC=C(OC2=CC=C(C(F)(F)F)C=N2)C=C1,3.789999961853030 -ClC1=C([N+]([O-])=O)C(NC2=NC=C(C(F)(F)F)C=C2Cl)=C([N+]([O-])=O)C=C1C(F)(F)F,3.819999933242800 -COC(C(NNC(OC(C)C)=O)=C2)=CC=C2C1=CC=CC=C1,3.900000095367430 -[N+]12=CC=CC=C1C3=[N+](C=CC=C3)CC2,3.900000095367430 -ClC1=C([N+]([O-])=O)C(NC2=NC=C(C(F)(F)F)C=C2Cl)=C([N+]([O-])=O)C=C1C(F)(F)F,3.900000095367430 -S=P(OC)(OC)SCN1C(C(C=CC=C2)=C2C1=O)=O,4.000000000000000 -O=C(C(C(C)=N2)=CN1C2=CC(OP(OCC)(OCC)=S)=N1)OCC,4.000000000000000 -CNC(ON=C(SC)C(N(C)C)=O)=O,4.190000057220460 -FC(F)(F)C1=CC=C(C(S(C)(=O)=NC#N)C)C=N1,4.239999771118160 -S=C(S)NC,4.300000190734860 -O=C(N(CC)CC)SCC1=CC=C(Cl)C=C1,4.300000190734860 -CC(C)(C1=CC=C(CCOC2=NC=NC3=CC=CC=C23)C=C1)C,4.500000000000000 -ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,4.699999809265140 -O=C2C1=CC(F)=CC=C1N=C(N4N=CN=C4)N2C3=C(Cl)C=C(Cl)C=C3,4.769999980926510 -CC1(CNC(=NC1)NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC3=CC=C(C=C3)C(F)(F)F)C,4.900000095367430 -CNC(ON=C(SC)C(N(C)C)=O)=O,4.900000095367430 -ClC1=CC(Cl)=C(OCC(O)=O)C=C1,5.000000000000000 -NC1=NNC=N1,5.000000000000000 -O=C(NC)OC1=C(OC(C)(C)C2)C2=CC=C1,5.000000000000000 -S=P(OCC)(OCC)OC1=NC(C(C)C)=NC(C)=C1,5.000000000000000 -O=C(N(C1=C(C)SC=C1C)C(C)COC)CCl,5.000000000000000 -O=S3OCC1C(CO3)C2(Cl)C(Cl)=C(Cl)C(Cl)1C(Cl)2Cl,5.000000000000000 -FC1=CC=C(C2(CN4C=NC=N4)C(C3=CC=CC=C3Cl)O2)C=C1,5.000000000000000 -ClC(Cl)(Cl)C1=NSC(OCC)=N1,5.000000000000000 -C[Si](C2=CC=C(C=C2)F)(C3=CC=C(F)C=C3)CN1C=NC=N1,5.000000000000000 -ClC1=CC(C(F)(F)F)=CC=C1OC2=CC=C([N+]([O-])=O)C(C(NS(C)(=O)=O)=O)=C2,5.000000000000000 -ClC1=CC=C2C(N=CC(OC3=CC=C(OC(C)C(OCCO/N=C(C)/C)=O)C=C3)=N2)=C1,5.000000000000000 -[S]C(NC(C)CNC(S[Zn])=S)=S,5.000000000000000 -[S]C(NC(C)CNC(S[Zn])=S)=S,5.000000000000000 -C1CNC(=S)NC1,5.000000000000000 -CC(C)(C)C1=CC=C(CSC2=C(Cl)C(N(C(C)(C)C)N=C2)=O)C=C1,5.000000000000000 -CS/C(C)=N/OC(N(SN(C(O/N=C(SC)\C)=O)C)C)=O,5.000000000000000 -CN(CN1C)CSC1=S,5.300000190734860 -CCN(CCCC)C1=C([N+]([O-])=O)C=C(C(F)(F)F)C=C1[N+]([O-])=O,5.400000095367430 -CC1(C)C(/C=C(Br)/Br)C1C(OC(C#N)C2=CC(OC3=CC=CC=C3)=CC=C2)=O,5.400000095367430 -CC(C)C1C2CCC1C3=C2C(NC(C4=CN(C)N=C4C(F)F)=O)=CC=C3,5.500000000000000 -O=C(O)C(C)OC1=C(C)C=C(Cl)C=C1,5.500000000000000 -C1CNC(=S)NC1,5.599999904632570 -FC(F)(F)/C(Cl)=C/C1C(C)(C)C1C(OCC2=C(F)C(F)=C(C)C(F)=C2F)=O,5.900000095367430 -S=P(OC1=NC(Cl)=C(Cl)C=C1Cl)(OCC)OCC,6.000000000000000 -O[Sn](C2CCCCC2)(C3CCCCC3)C1CCCCC1,6.000000000000000 -O=C(C2=C1C=CC=C2)C(SC(C#N)=C(C#N)S3)=C3C1=O,6.000000000000000 -FC1=CC=C(C2(CN4C=NC=N4)C(C3=CC=CC=C3Cl)O2)C=C1,6.000000000000000 -O=C(NCCC2=NC=C(C(F)(F)F)C=C2Cl)C1=CC=CC=C1C(F)(F)F,6.000000000000000 -O=C(NC1=CC(Cl)=C(Cl)C=C1)N(C)OC,6.250000000000000 -O=C(NC1=CC(Cl)=C(Cl)C=C1)N(C)OC,6.250000000000000 -O=C1C(/C(CCC)=N\OCC)=C(O)CC(C2CSCCC2)C1,6.400000095367430 -BrC(C3)COC(CN2C=NC=N2)3C1=C(Cl)C=C(Cl)C=C1,6.480000019073490 -CN1N=C(C(Cl)=C1C(NCC2=CC=C(C=C2)C(C)(C)C)=O)CC,6.500000000000000 -CC1CCC2(CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)C)OC1C,6.800000190734860 -O=C1N(NC3=CC=CC=C3)C(SC)=NC(C)1C2=CC=CC=C2,7.099999904632570 -S=C(SSC(N(C)C)=S)N(C)C,7.300000190734860 -NC1=C(C(OC2=CC=CC=C2)=CC=C1[N+]([O-])=O)Cl,8.000000000000000 -BrC1=CC(C#N)=CC(Br)=C1O,8.000000000000000 -C1CC1(C(CC2=CC=CC=C2Cl)(CN3C=NC=N3)O)Cl,8.000000000000000 -O=C(OC(C)1C=C)N(C2=CC(Cl)=CC(Cl)=C2)C1=O,8.000000000000000 -FC(F)(F)C(C(F)(F)F)OC(/C=C\C1C(C)(C)C1C(OC(C#N)C2=CC=C(OC3=CC=CC=C3)C=C2)=O)=O,8.100000381469730 -O=C(C(SCCO2)=C2C)NC1=CC=CC=C1,8.199999809265140 -FC(F)(F)OC(C=C2)=CC=C2NC(NC(C1=C(Cl)C=CC=C1)=O)=O,8.449999809265140 -O=C(SC/C(Cl)=C(Cl)\Cl)N(C(C)C)C(C)C,8.600000381469730 -C[N+](C=C2)=CC=C2C1=CC=[N+](C)C=C1,8.869999885559080 -O=C2C(CCCCCCCCCCCC)=C(OC(C)=O)C(C1=CC=CC=C12)=O,9.000000000000000 -O=C(N1C(C)C)N(C2=CC=CC=C2)CS/C1=N\C(C)(C)C,9.000000000000000 -O=C(CC)NC1=CC(Cl)=C(Cl)C=C1,9.000000000000000 -CON(C(OC)=O)C(C=CC=C3)=C3COC2=NN(C=C2)C1=CC=C(Cl)C=C1,9.000000000000000 -CC(C(O)=O)OC(C=C3)=CC=C3OC2=NC1=CC=C(Cl)C=C1O2,9.399999618530270 -CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C(=CC3C2CC(=O)O1)C)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C,9.500000000000000 -C1=C(SC(=N1)S(=O)(=O)CCC(=C(F)F)F)Cl,9.600000381469730 -CC(C)C(C2=CN=CN=C2)(O)C1=CC=C(OC(F)(F)F)C=C1,9.800000190734860 -CCCCC(C#N)(C2=CC=C(C=C2)Cl)CN1C=NC=N1,9.899999618530270 -CN(/C=N/C(C=CC(C)=C2)=C2C)/C=N/C(C=CC(C)=C1)=C1C,10.000000000000000 -CCNC1=NC(NC(C)C)=NC(Cl)=N1,10.000000000000000 -S=P(OC1=NC(Cl)=C(Cl)C=C1Cl)(OCC)OCC,10.000000000000000 -O=C(C(C(Cl)=C(Cl)C(C(OC)=O)=C1Cl)=C1Cl)OC,10.000000000000000 -C[Si](C2=CC=C(C=C2)F)(C3=CC=C(F)C=C3)CN1C=NC=N1,10.000000000000000 -CS(C1=CC(C(F)(F)F)=CC=C1C(C2=C(O)N(C)N=C2C)=O)(=O)=O,10.000000000000000 -CS/C(C)=N/OC(N(SN(C(O/N=C(SC)\C)=O)C)C)=O,10.000000000000000 -O=C(C2C(/C=C(Cl)/Cl)C(C)2C)OCC1=C(F)C(F)=CC(F)=C1F,10.000000000000000 -CC(C(OCC#C)=O)OC1=CC=C(OC2=C(F)C=C(Cl)C=N2)C=C1,10.199999809265100 -OC(C2=CC=C(F)C=C2)(C3=C(F)C=CC=C3)CN1C=NC=N1,10.199999809265100 -FC(F)(F)C1=CC([N+]([O-])=O)=C(N(CC(C)=C)CC)C([N+]([O-])=O)=C1,10.699999809265100 -CCOC(CCN(C(C)C)SN(C)C(OC1=CC=CC2=C1OC(C)(C)C2)=O)=O,11.000000000000000 -O=S3OCC1C(CO3)C2(Cl)C(Cl)=C(Cl)C(Cl)1C(Cl)2Cl,11.000000000000000 -BrC([H])([H])[H],11.000000000000000 -CC(C)(C(C(N2C=NC=N2)CC1=CC=C(C=C1)Cl)O)C,11.000000000000000 -O=C(C(C(C)=N2)=CN1C2=CC(OP(OCC)(OCC)=S)=N1)OCC,11.000000000000000 -CNC(OC1=CC=CC(/N=C/N(C)C)=C1)=O,11.500000000000000 -CC(CC2=CC=C(C(C)(C)C)C=C2)CN1CCCCC1,11.829999923706100 -O=C(OCC)C(Cl)CC1=CC(N2N=C(C)N(C(F)F)C2=O)=C(F)C=C1Cl,12.000000000000000 -CC(C(C1C(OC(C2=CC=CC(OC3=CC=CC=C3)=C2)C#N)=O)/C=C(C(F)(F)F)\Cl)1C,12.000000000000000 -CC2(C)C=C(C)C1=CC(OCC)=CC=C1N2,12.000000000000000 -CC(NC(N1CC(N(C2=CC(Cl)=CC(Cl)=C2)C1=O)=O)=O)C,12.000000000000000 -IC1=CC=C(N=C(OCCC)N(CCC)C2=O)C2=C1,12.000000000000000 -CS/C(C)=N/OC(N(SN(C(O/N=C(SC)\C)=O)C)C)=O,12.000000000000000 -S=C(SSC(N(C)C)=S)N(C)C,12.000000000000000 -O=C(OCC)CSC1=NC(C(C)(C)C)=NN1C(N(C)C)=O,12.000000000000000 -ClC1=CC=C(C2=CC(F)=CC=C2NC(C3=CN(C)N=C3C(F)F)=O)C=C1Cl,12.100000381469700 -FC(F)(F)C1=CC(OC2=CC=CC(C(NC3=CC=C(F)C=C3)=O)=N2)=CC=C1,12.100000381469700 -C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],12.300000190734900 -CN(C)C1=NC(C)=C(C)C(OC(N(C)C)=O)=N1,12.300000190734900 -ClC1=C(C3(OCCO3)CN2C=NC=N2)C=CC(Cl)=C1,12.800000190734900 -ClC(N=CC=C3)=C3C(NC1=CC=CC=C1C2=CC=C(Cl)C=C2)=O,13.000000000000000 -O=C1C(C(C)(C)C)=NN=C(SC)N1N,13.000000000000000 -O=C(SC/C(Cl)=C(Cl)\Cl)N(C(C)C)C(C)C,13.000000000000000 -CN(C)C(S[Zn]SC(N(C)C)=S)=S,13.000000000000000 -OC1(CN3C=NC=N3)C(C)(C)CCC1CC2=CC=C(Cl)C=C2,13.100000381469700 -O=S(C1=C(C(F)(F)F)C=CC=N1)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O,13.300000190734900 -OC(C(Cl)(Cl)Cl)P(OC)(OC)=O,13.300000190734900 -COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+],13.800000190734900 -OC1(CN3C=NC=N3)C(C)(C)CCC1CC2=CC=C(Cl)C=C2,13.800000190734900 -O=C(N(C1=C(CC)C=CC=C1CC)COC)CCl,14.000000000000000 -NS(C1=CC([N+]([O-])=O)=C(N(CCC)CCC)C([N+]([O-])=O)=C1)(=O)=O,14.000000000000000 -CCCOC/C(N2C=CN=C2)=N\C1=CC=C(C=C1C(F)(F)F)Cl,14.000000000000000 -O=C1C(C(C)(C)C)=NN=C(SC)N1N,14.399999618530300 -O=C1OC3(CCCCC3)C(OC(C(C)(C)CC)=O)=C1C2=C(Cl)C=C(Cl)C=C2,14.720000267028800 -CC1=CC(C)=CC(C)=C1C2=C(OC(CC(C)(C)C)=O)C3(CCCC3)OC2=O,14.800000190734900 -CC1(C)C(C(OCC2=COC(CC3=CC=CC=C3)=C2)=O)C1/C=C(C)\C,15.000000000000000 -ClC(C=C2)=CC=C2C1=C(C#N)C(Br)=C(C(F)(F)F)N1COCC,15.000000000000000 -CC(C1=CC=CC=C1)(C)C[Sn](CC(C)(C2=CC=CC=C2)C)(CC(C)(C3=CC=CC=C3)C)O[Sn](CC(C)(C4=CC=CC=C4)C)(CC(C)(C6=CC=CC=C6)C)CC(C)(C5=CC=CC=C5)C,15.000000000000000 -ClC(C=C(Cl)C=C2)=C2C(OCC=C)CN1C=NC=C1,15.000000000000000 -CC(C)(C2=CC=C(C=C2)OC1CCCCC1OS(OCC#C)=O)C,15.000000000000000 -C#CCOC(C(NCCC2=CC=C(OCC#C)C(OC)=C2)=O)C1=CC=C(Cl)C=C1,15.199999809265100 -CCOC(C(OC3=CC=C(C=C3)OC2=NC1=CC=C(Cl)C=C1N=C2)C)=O,15.500000000000000 -CC(C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O)C1CC1,15.539999961853000 -FC(F)(C1=CC=CC(N2CC(C(C2=O)Cl)CCl)=C1)F,15.699999809265100 -ClC(C=C(Cl)C=C2)=C2C(OCC=C)CN1C=NC=C1,15.899999618530300 -CC1=CC(C)=CC(C)=C1C2=C(OC(CC(C)(C)C)=O)C3(CCCC3)OC2=O,15.899999618530300 -CCC1=C(C(NC(C2=CC=CS2)C#N)=O)SC(NCC)=N1,16.399999618530300 -O=C(C2C(/C=C(C)/C)C(C)2C)OC1CC(C(CC#C)=C1C)=O,16.500000000000000 -O=C(C(O3)(C)C(C=C2)=CC=C2OC1=CC=CC=C1)N(NC4=CC=CC=C4)C3=O,17.000000000000000 -BrC([H])([H])[H],17.000000000000000 -C/C(C)=C(N(C(CCl)=O)CCOCC)/C1=CC=CC=C1,17.000000000000000 -FC(F)(F)C1=CC=C(OCCCOC2=C(Cl)C=C(OC/C=C(Cl)\Cl)C=C2Cl)N=C1,17.100000381469700 -FC(F)(F)C1=CC(NC(N(C)C)=O)=CC=C1,17.173000335693400 -ClC1=C(C2=NN=C(C3=C(Cl)C=CC=C3)N=N2)C=CC=C1,17.299999237060500 -ClC1=CC=C(C2=CC(F)=CC=C2NC(C3=CN(C)N=C3C(F)F)=O)C=C1Cl,17.399999618530300 -ClC1=CC=C(CN(C)/C(C)=N/C#N)C=N1,17.500000000000000 -OC(C2=C(Cl)C=CC=C2)(C3=CN=CN=C3)C1=CC=C(Cl)C=C1,17.500000000000000 -NC(C1=C(Cl)C=CC=C1Cl)=O,17.600000381469700 -O=C(N(C2=C(C)C=CC=C2C)CN1N=CC=C1)CCl,17.600000381469700 -FC(F)(F)C1=C(F)C=CC(OC(CC)C(NCC2=CC=CC=C2)=O)=C1,17.700000762939500 -O=C(C(CCCC4)=C4C3=O)N3C(C(F)=C2)=CC1=C2OCC(N1CC#C)=O,18.000000000000000 -O=C1C(C3=CC=CC(C(F)(F)F)=C3)=C(NC)OC1C2=CC=CC=C2,18.399999618530300 -NC(NCCCCCCCCNC(N)=N)=N,18.500000000000000 -O=C(O)COC(C=CC(Cl)=C1)=C1C,19.000000000000000 -ClC1=CC=C(OC(N2N=CN=C2)C(O)C(C)(C)C)C=C1,19.000000000000000 -O=C(OC(C#N)C2=CC(OC3=CC=CC=C3)=C(F)C=C2)C1C(/C=C(Cl)/Cl)C(C)1C,19.200000762939500 -CNC(O/N=C(C)\SC)=O,19.200000762939500 -O=C1C(C2=CC=CC=C2)=NN=C(C)N1N,19.500000000000000 -O=C(NS(C2=CC=CC=C2Cl)(=O)=O)NC1=NC(C)=NC(OC)=N1,20.000000000000000 -FC(F)(F)C(C=C3S(C)(=O)=O)=CC=C3C(C1=C(C2CC2)ON=C1)=O,20.000000000000000 -O=C(NC(NC2=CC(Cl)=C(OC(F)(F)C(F)C(F)(F)F)C=C2Cl)=O)C1=C(F)C=CC=C1F,20.399999618530300 -CC(C(C(C)3C)C(OC(C1=CC=CC(OC2=CC=CC=C2)=C1)C#N)=O)3C,21.000000000000000 -CCCN(C(N2C=CN=C2)=O)CCOC1=C(Cl)C=C(Cl)C=C1Cl,21.500000000000000 -C[C@H]([C@@H](N(C)C)CC5)O[C@H]5O[C@@H]2[C@@H](C)C(C1=C[C@]3([H])[C@](CC[C@@]4([H])[C@]([H])3C[C@H](O[C@@H]6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C4)([H])[C@@]([H])1CC(O[C@@H](CC)CCC2)=O)=O,21.600000381469700 -O=C(CC3=CC=CC=C3)N/C(C2=C(F)C(F)=CC=C2C(F)(F)F)=N\OCC1CC1,22.000000000000000 -O=C(NC1=CC(Cl)=C(N2N=C(C(C)(C)C)OC2=O)C=C1)N(C)C,22.000000000000000 -O=C(OC(C#N)C2=CC(OC3=CC=CC=C3)=C(F)C=C2)C1C(/C=C(Cl)/Cl)C(C)1C,22.799999237060500 -CC1=CC=C(C)C=C1OCC2=CC=CC=C2/C(C(NC)=O)=N/OC,23.000000000000000 -C2(C3=CC=CO3)=NC1=CC=CC=C1N2,23.000000000000000 -O=C1C(/C(CC)=N/OCC)=C(O)CC(C2=C(C)C=C(C)C=C2C)C1,23.000000000000000 -S=P(OC)(OC)OC1=CC(C)=C([N+]([O-])=O)C=C1,23.100000381469700 -CC1C(C3=CC=C(C=C3)Cl)SC(N1C(NC2CCCCC2)=O)=O,23.100000381469700 -CCOP(OCC)(SCN1C(OC2=C1C=CC(Cl)=C2)=O)=S,23.399999618530300 -O=C(NC(NCC)=O)/C(C#N)=N\OC,23.500000000000000 -CCNC1=NC(NC(C)C)=NC(Cl)=N1,23.600000381469700 -CCOC(CCN(C(C)C)SN(C)C(OC1=CC=CC2=C1OC(C)(C)C2)=O)=O,24.000000000000000 -CC2COC(O2)(C4=CC=C(C=C4Cl)OC3=CC=C(Cl)C=C3)CN1C=NC=N1,24.100000381469700 -CC(C)(C2=CC=C(C=C2)OC1CCCCC1OS(OCC#C)=O)C,24.200000762939500 -O=C(C(C)(C)C)C(N2C=NC=N2)OC1=CC=C(Cl)C=C1,24.299999237060500 -O=C(OCC)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1,24.700000762939500 -FC1=CC=CC(F)=C1C(NC(NC2=CC(Cl)=C(C(Cl)=C2F)F)=O)=O,24.799999237060500 -ClC2=CC=C(C=N2)CN1CCN/C1=N\[N+]([O-])=O,24.899999618530300 -CC(C)(C(C(N3C=NC=N3)OC1=CC=C(C2=CC=CC=C2)C=C1)O)C,25.000000000000000 -CCCCN(SN(C(OC2=C1OC(C)(C)CC1=CC=C2)=O)C)CCCC,25.000000000000000 -C1(NC2=CC=CC=C2)=CC=CC=C1,25.000000000000000 -N#CC(C2=CC(OC3=CC=CC=C3)=CC=C2)OC(C(C(C)C)C1=CC=C(Cl)C=C1)=O,25.000000000000000 -ClC1=CC=C(C(C(C)C)C(OC(C#N)C2=CC(OC3=CC=CC=C3)=CC=C2)=O)C=C1,25.000000000000000 -ClC1=CC=C(C(C(C)C)C(OC(C#N)C2=CC(OC3=CC=CC=C3)=CC=C2)=O)C=C1,25.000000000000000 -O=C2N(SC(Cl)(Cl)Cl)C(C1=CC=CC=C12)=O,25.000000000000000 -O=C(C2C(/C=C(Cl)/Cl)C(C)2C)OCC1=CC(OC3=CC=CC=C3)=CC=C1,25.000000000000000 -ClC1=CC=C2C(N=CC(OC3=CC=C(OC(C)C(OCCO/N=C(C)/C)=O)C=C3)=N2)=C1,25.000000000000000 -CC(C)(C2=CC=C(C=C2)OC1CCCCC1OS(OCC#C)=O)C,25.200000762939500 -CC(C)C1=NN(C(=O)N1N)C(=O)NC(C)(C)C,25.299999237060500 -OC(C2(CC2)C(NC1=C(Cl)C=C(Cl)C=C1)=O)=O,25.500000000000000 -CCOC1=CC=C(C(C)(C)COCC2=CC(OC3=CC=CC=C3)=CC=C2)C=C1,25.500000000000000 -CC(OC(C(C1=CC=C(Br)C=C1)(C2=CC=C(Br)C=C2)O)=O)C,25.899999618530300 -CC1=C(N2C(S3)=NN=C2)C3=CC=C1,26.000000000000000 -CC1=CC=C(C2=CC=CC=C12)C,27.000000000000000 -O=C1C(/C(CCC)=N\OCC)=C(O)CC(C2CSCCC2)C1,28.000000000000000 -O=C(OC1=CC(C)=C(SC)C(C)=C1)NC,28.000000000000000 -S=C1S[Mn+2]SC(NCCN1)=S,28.799999237060500 -FC(F)(F)C1=CC([N+]([O-])=O)=C(N(CC(C)=C)CC)C([N+]([O-])=O)=C1,29.000000000000000 -O=C(OCC)C(CC(OCC)=O)SP(OC)(OC)=S,29.000000000000000 -O=C(OC(C)C)NC1=CC=CC=C1,29.000000000000000 -IC1=CC=C(C(OC)=O)C(S([N-]C(NC2=NC(C)=NC(OC)=N2)=O)(=O)=O)=C1.[Na+],29.700000762939500 -CO\N=C(C(OC)=O)/C1=C(CO/N=C(C)/C2=CC=CC(C(F)(F)F)=C2)C=CC=C1,29.700000762939500 -C(C(CCl)O)O,30.000000000000000 -ClC1=CC=CC(NC(OC(C)C)=O)=C1,30.000000000000000 -FC(F)(F)C1=CC(NC(N(C)C)=O)=CC=C1,30.000000000000000 -CC1=C(Cl)C(NS(C2=NN3C(N=C(OC)C=C3OC)=N2)(=O)=O)=C(Cl)C=C1,30.000000000000000 -ClCCOC1=CC=CC=C1S(NC(NC2=NC(OC)=NC(C)=N2)=O)(=O)=O,30.000000000000000 -O=[N+]([O-])C1=CC(C(F)(F)F)=CC([N+]([O-])=O)=C1N(CCC)CCC,30.000000000000000 -CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC3=C2C4CCC3C4=C(Cl)Cl,30.200000762939500 -O=C(NC(NCC)=O)/C(C#N)=N\OC,30.299999237060500 -FC(C=CC=C2F)=C2C(NC(NC1=CC=C(OC(F)(F)C(F)OC(F)(F)F)C(Cl)=C1)=O)=O,30.600000381469700 -CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)O,30.600000381469700 -O=S(C1=C(C)C=CC=C1C(OC)=O)(NC(NC2=NC(OCC(F)(F)F)=NC(N(C)C)=N2)=O)=O,30.600000381469700 -ClC(C=C2)=CC=C2CCC(C#N)(CN3C=NC=N3)C1=CC=CC=C1,31.000000000000000 -O=C(NC1=CC(Cl)=C(Cl)C=C1)N(C)OC,31.250000000000000 -O=C(NS(N(C(C)C)C)(=O)=O)C1=CC(N2C(C=C(C(F)(F)F)N(C)C2=O)=O)=C(F)C=C1Cl,31.399999618530300 -O=C(C2=C(Cl)C=CC=C2Cl)NCC1=NC=C(C(F)(F)F)C=C1Cl,31.500000000000000 -S=C(NC(OC)=O)NC(C=CC=C1)=C1NC(NC(OC)=O)=S,32.000000000000000 -CN/C(NCC1=CN=C(Cl)S1)=N\[N+]([O-])=O,32.500000000000000 -CC(C)(C)C1CCC2(OC(CN(CCC)CC)CO2)CC1,32.810001373291000 -O=C(N2CCOCC2)/C=C(C3=CC=C(Cl)C=C3)/C1=CC=C(OC)C(OC)=C1,34.000000000000000 -O=C(NC2=CC=C(C(C(F)(F)F)(F)C(F)(F)F)C=C2C)C1=CC=CC(I)=C1C(NC(C)(C)CS(C)(=O)=O)=O,34.000000000000000 -CC1=CC(C3CC3)=NC(NC2=CC=CC=C2)=N1,35.599998474121100 -CC(C)N2C(C1=CC=CC=C1NS(=O)2=O)=O,36.000000000000000 -O=C(N2CCOCC2)/C=C(C3=CC=C(Cl)C=C3)/C1=CC=C(OC)C(OC)=C1,36.000000000000000 -NS(C1=CC([N+]([O-])=O)=C(N(CCC)CCC)C([N+]([O-])=O)=C1)(=O)=O,36.000000000000000 -CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC,36.400001525878900 -CC(C(O)=O)OC(C=CC(Cl)=C1)=C1Cl,36.500000000000000 -COCC1=C(F)C(F)=C(COC(C2C(/C=C/C)C(C)2C)=O)C(F)=C1F,38.099998474121100 -O=C1N(/N=C/C2=CC=CN=C2)CC(C)=NN1,39.299999237060500 -CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl,39.500000000000000 -N#CC1=C(Cl)C(Cl)=C(Cl)C(C#N)=C1Cl,40.000000000000000 -C2(C3=CSC=N3)=NC1=CC=CC=C1N2,40.000000000000000 -CCC(NC1=C([N+]([O-])=O)C=C(C(C)(C)C)C=C1[N+]([O-])=O)C,40.599998474121100 -N=C(N)NCCCCCCCCCCCC.OC(C)=O,42.000000000000000 -O=C(NC(C)(C)C#C)C1=CC(Cl)=CC(Cl)=C1,42.500000000000000 -CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC,42.900001525878900 -CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C,43.000000000000000 -CC(C)C(C2=CN=CN=C2)(O)C1=CC=C(OC(F)(F)F)C=C1,43.099998474121100 -CC1OC(C)OC(C)OC(C)O1,44.000000000000000 -O=C(NCC#N)C1=CN=CC=C1C(F)(F)F,44.099998474121100 -FC(F)C1=NC(C(F)(F)F)=C(C2=NCCS2)C(CC(C)C)=C1C(OC)=O,44.200000762939500 -FC(F)(F)C1=CC=CC(OCC2=C(/C(C(OC)=O)=C\OC)C=CC=C2)=N1,46.000000000000000 -O=C(N(COCC)C1=C(CC)C=CC=C1C)CCl,47.500000000000000 -O=C(N(CC)CC)C(OC1=CC=CC2=C1C=CC=C2)C,47.560001373291000 -CC12CC(C(N(C3=CC(Cl)=CC(Cl)=C3)C2=O)=O)1C,48.000000000000000 -O=C(NC)OC(C=CC=C1)=C1OC(C)C,48.000000000000000 -O=C(NN(C(C)(C)C)C(C2=CC(C)=CC(C)=C2)=O)C1=CC=C(C=C1)CC,48.400001525878900 -O=C1C(Cl)=C(N)C=NN1C2=CC=CC=C2,50.000000000000000 -CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C,50.000000000000000 -O=S(C(C)=C(C)S(CC1)(=O)=O)1=O,50.000000000000000 -O=S(NC1=NN2C(C(OC)=CN=C2OC)=N1)(C3=C(OCC(F)F)C=CC=C3C(F)(F)F)=O,50.000000000000000 -O=C(C2C(/C=C(Cl)/Cl)C(C)2C)OCC1=CC(OC3=CC=CC=C3)=CC=C1,50.000000000000000 -ClC1=C(CC(C3(CC3)Cl)(O)CN2N=CNC2=S)C=CC=C1,50.000000000000000 -CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C,51.000000000000000 -FC(F)(F)C1=CC(Cl)=C(OC2=CC=C([N+]([O-])=O)C(OCC)=C2)C=C1,53.000000000000000 -S=C(NC(OC)=O)NC(C=CC=C1)=C1NC(NC(OC)=O)=S,53.000000000000000 -O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C,55.000000000000000 -CC(C)(C(CCC1=CC=C(Cl)C=C1)(CN2C=NC=N2)O)C,55.000000000000000 -O=C(O)C1=CC=CC=C1S(=O)(NC(N(C2=NC(OC)=NC(C)=N2)C)=O)=O,55.000000000000000 -O=C1C(Cl)=C(N)C=NN1C2=CC=CC=C2,60.000000000000000 -O=CC1=CC=CO1,60.000000000000000 -O=C(NC)OC1=C(C=CC=C2)C2=CC=C1,60.200000762939500 -ClC1=CC(Cl)=C(OCC(O)=O)C=C1,62.000000000000000 -NC1=C(C(OC2=CC=CC=C2)=CC=C1[N+]([O-])=O)Cl,62.000000000000000 -O=C(N(C1=C(C)C=CC=C1CC)COC(C)C)CCl,63.000000000000000 -CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-],64.000000000000000 -C/C=C/C(OC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1C(C)CCCCCC)=O,64.000000000000000 -O=C(N(COCC)C1=C(CC)C=CC=C1C)CCl,66.900001525878900 -[S]C(NCCNC(S[Mn])=S)=S,67.000000000000000 -O=C(C2=CN(C)N=C2C(F)F)NC1=C(C3CC3C4CC4)C=CC=C1,67.000000000000000 -CS(NC1=C(Cl)C=C(Cl)C(N2C(N(C(F)F)C(C)=N2)=O)=C1)(=O)=O,67.000000000000000 -O=C(N(COCC)C1=C(CC)C=CC=C1C)CCl,69.000000000000000 -CC(CCCCCC)C1=C(OC(/C=C\C)=O)C([N+]([O-])=O)=CC([N+]([O-])=O)=C1,71.000000000000000 -CS(C(C=C2Cl)=CC=C2C(C(C(CCC1)=O)C1=O)=O)(=O)=O,72.000000000000000 -O=C1C(C2=CC=CC=C2)=NN=C(C)N1N,74.599998474121100 -ClC1=CC(Cl)=C(OCC(O)=O)C=C1,75.000000000000000 -C[N+](C)(C)CCCl.[Cl-],75.000000000000000 -CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C,75.000000000000000 -O=C(NC2=CC=C(C(C(F)(F)F)(F)C(F)(F)F)C=C2C)C1=CC=CC(I)=C1C(NC(C)(C)CS(C)(=O)=O)=O,79.000000000000000 -FC(C=C3)=CC=C3OC1=CC=NC2=C1C(Cl)=CC(Cl)=C2,80.000000000000000 -O=C(OC)/C(C1=CC=CC=C1OC2=CC(OC3=CC=CC=C3C#N)=NC=N2)=C/OC,82.400001525878900 -O=C(C2=CN(C)N=C2C(F)(F)F)NC1=C(C(C)CC(C)C)SC=C1,83.000000000000000 -BrC1=NN(C3=C(Cl)C=CC=N3)C(C(NC2=C(C)C=C(C#N)C=C2C(NC)=O)=O)=C1,84.800003051757800 -O=C1C(/C(CC)=N\OC/C=C/Cl)=C(O)CC(CC(C)SCC)C1,86.000000000000000 -O=C(NC2=CC(OC(C)C)=CC=C2)C1=C(C(F)(F)F)C=CC=C1,87.000000000000000 -O=C(N(C2=C(C)C=CC=C2C)CN1N=CC=C1)CCl,87.000000000000000 -O=S(C1=C(CCC(F)(F)F)C=CC=C1)(NC(NC2=NC(C)=NC(OC)=N2)=O)=O,88.000000000000000 -CN(C)S(N(SC(F)(Cl)Cl)C1=CC=C(C)C=C1)(=O)=O,90.000000000000000 -ClC1=CC(NC(NC2=CC=CC=C2)=O)=CC=N1,93.000000000000000 -CCCC1COC(C2=CC=C(Cl)C=C2Cl)(CN3N=CN=C3)O1,96.000000000000000 -CSC(C1=C2C(N=NS2)=CC=C1)=O,96.900001525878900 -ClC(Cl)(Cl)SN(C1=O)C(C2C1CC=CC2)=O,98.000000000000000 -OC1=NOC(C)=C1,99.000000000000000 -ClC(Cl)(Cl)SN(C1=O)C(C2C1CC=CC2)=O,100.000000000000000 -ClC1=CC=CC=C1CN2C(C(C)(C)CO2)=O,100.000000000000000 -O=C(N(CC)CC)C(OC1=CC=CC2=C1C=CC=C2)C,100.000000000000000 -O=C(C2=CN(C)N=C2C(F)(F)F)NC1=C(C(C)CC(C)C)SC=C1,100.000000000000000 -CCC1=C(C2=C(OC(C(C)(C)C)=O)N(CCOCC3)N3C2=O)C(CC)=CC(C)=C1,100.000000000000000 -CCCCOCCOCCOCC1=C(CCC)C=C(OCO2)C2=C1,100.000000000000000 -CN(C)S(N(SC(F)(Cl)Cl)C1=CC=C(C)C=C1)(=O)=O,100.000000000000000 -ClC(Cl)(Cl)C(N1CCN(C(NC=O)C(Cl)(Cl)Cl)CC1)NC=O,100.000000000000000 -CCC(C)N1C(=O)C(=C(NC1=O)C)Br,103.000000000000000 -CCCCC(C#N)(C2=CC=C(C=C2)Cl)CN1C=NC=N1,106.000000000000000 -CN(C)S(N(C=N3)N=C3S(N2C(C)=C(Br)C1=CC=C(F)C=C12)(=O)=O)(=O)=O,112.000000000000000 -FC(O3)(F)OC(C3=CC=C2)=C2C1=CNC=C1C#N,113.000000000000000 -O=C(OCCC)NCCCN(C)C.[H]Cl,114.000000000000000 -O=C(C(C)(C)C)C(N2C=NC=N2)OC1=CC=C(Cl)C=C1,114.000000000000000 -CCCCCCCCSC(OC1=C(C2=CC=CC=C2)N=NC(Cl)=C1)=O,115.000000000000000 -CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N,116.000000000000000 -[O-][N+](C1=CC(Cl)=C(N)C(Cl)=C1)=O,117.000000000000000 -O=C2NC1=C(C(N2C3CCCCC3)=O)CCC1,118.000000000000000 -O=C(OC)C1=CC=CC=C1S(NC(NC2=NC(C)=NC(OC)=N2)=O)(=O)=O,119.000000000000000 -O=C(C2=CC=CN=C2OC3=CC=CC(C(F)(F)F)=C3)NC1=CC=C(F)C=C1F,119.599998474121000 -ClC1=CC=CC(C2=CNC=C2C#N)=C1Cl,120.000000000000000 -CC(CCCCCC)C1=C(OC(/C=C\C)=O)C([N+]([O-])=O)=CC([N+]([O-])=O)=C1,120.800003051758000 -O=S(C1=C(S(CC)(=O)=O)C=CC=N1)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O,121.000000000000000 -FC1=CC=CC(F)=C1C(NC(NC2=CC(Cl)=C(C(Cl)=C2F)F)=O)=O,122.500000000000000 -C[N+](C)(C)CCCl.[Cl-],125.000000000000000 -O=C(NC(NC2=CC=C(Cl)C=C2)=O)C1=C(F)C=CC=C1F,125.000000000000000 -CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3],125.000000000000000 -O=C(N(C1=C(CC)C=CC=C1CC)COC)CCl,126.000000000000000 -ClC(C(SCC(O)=O)=C3)=CC(F)=C3\N=C2/SC(N1CCCCN12)=O,130.000000000000000 -O=P(O)(O)CCCl,131.000000000000000 -C[N+](C)(C)CCCl.[Cl-],136.000000000000000 -CC(C2)OC(C)CN2C1CCCCCCCCCCC1,136.000000000000000 -CC(COC2=CC=C(OC3=CC=CC=C3)C=C2)OC1=CC=CC=N1,138.699996948242000 -[O-][N+](C(C(Cl)=C(Cl)C(Cl)=C1Cl)=C1Cl)=O,141.000000000000000 -O=C(OCC)C(CC(OCC)=O)SP(OC)(OC)=S,143.000000000000000 -CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C,145.100006103516000 -ClC1=CC=C(Cl)C(C(O)=O)=N1,150.000000000000000 -ClC1=CC=C(Cl)C(C(O)=O)=N1,150.000000000000000 -O=C(N(C1=C(C)C=CC=C1CC)C(C)COC)CCl,150.000000000000000 -O=C(C(C(C)3C)C3/C=C(C)/C)OCC1=CC=CC(OC2=CC=CC=C2)=C1,150.000000000000000 -O=C(OCCC)NCCCN(C)C.[H]Cl,150.000000000000000 -ClC1=NC=C(CN2/C(N(C)COC2)=N/[N+]([O-])=O)S1,155.000000000000000 -CCCCC1=C(OS(=O)(N(C)C)=O)N=C(NCC)N=C1C,156.000000000000000 -NC1=NC(N)=NC(NC2CC2)=N1,156.000000000000000 -COCCN(C1=C(C)C=CC=C1C)C(CCl)=O,157.000000000000000 -ClC(Cl)(Cl)C(N1CCN(C(NC=O)C(Cl)(Cl)Cl)CC1)NC=O,160.000000000000000 -FC(F)(F)C1=CC=CC(OCC2=C(/C(C(OC)=O)=C\OC)C=CC=C2)=N1,162.000000000000000 -O=C(OC)NS(C1=CC=C(N)C=C1)(=O)=O,180.000000000000000 -ClC1=CC=C(CN(C(NC3=CC=CC=C3)=O)C2CCCC2)C=C1,180.000000000000000 -CO\N=C(C4=NOCCO4)/C(C=CC=C3)=C3OC1=C(F)C(OC2=CC=CC=C2Cl)=NC=N1,181.000000000000000 -COC(C1=C([N+]([O-])=O)C=CC(OC2=C(Cl)C=C(Cl)C=C2)=C1)=O,187.000000000000000 -FC1=CC=CC(F)=C1C(OC3)=NC3C2=CC=C(C(C)(C)C)C=C2OCC,187.000000000000000 -CC1=CC=C(C)C=C1C(C(N3)=O)=C(OC(OCC)=O)C23CCC(OC)CC2,189.000000000000000 -CC1=CC=C(C)C=C1C(C(N3)=O)=C(OC(OCC)=O)C23CCC(OC)CC2,189.000000000000000 -O=C(NC3=CC=C(OC(F)(F)F)C=C3)N/N=C(C2=CC=C(C(F)(F)F)C=C2)/CC1=CC=C(C#N)C=C1,200.000000000000000 -OC1=C(C2=CC=CC=C2)C=CC=C1,200.000000000000000 -O=C(O)C1=NC(Cl)=C(Cl)C(N)=C1Cl,200.000000000000000 -O=C(N(C1=C(C)C=CC=C1CC)COC(C)C)CCl,200.000000000000000 -OC1(CN3N=CN=C3)C(C)(C)CC/C1=C\C2=CC=C(Cl)C=C2,203.600006103516000 -CCOC1=NC(=NC(=N1)NC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC,210.000000000000000 -FC1=C(NC(NC(C3=C(F)C=CC=C3F)=O)=O)C=CC(OC2=C(Cl)C=C(C(F)(F)F)C=C2)=C1,218.000000000000000 -CCOC1=CC=C(C=C1OCC)NC(OC(C)C)=O,220.300003051758000 -CC1=NC(NC2=CC=CC=C2)=NC(C)=C1,221.000000000000000 -O=C(O)CC2=CC=CC1=CC=CC=C12,224.500000000000000 -CP(CCC(N)C(O)=O)(O)=O,228.899993896484000 -FC1=C(NC(NC(C3=C(F)C=CC=C3F)=O)=O)C=CC(OC2=C(Cl)C=C(C(F)(F)F)C=C2)=C1,230.000000000000000 -O=S(NC(N1N=C(OC)N(C)C1=O)=O)(C2=C(C)SC=C2C(OC)=O)=O,234.000000000000000 -FC1=CC=C2C(SC(C(C)NC(C(C(C)C)NC(OC(C)C)=O)=O)=N2)=C1,249.600006103516000 -O=C(OC)NC2=NC1=CC=CC=C1N2,250.000000000000000 -CC(C)OC(/C=C(C)/C=C/CC(C)CCCC(C)(C)OC)=O,250.000000000000000 -O=C(O)C1=NC(Cl)=C(Cl)C(N)=C1Cl,250.000000000000000 -BrC1=C(C)C(C(C2=C(C)C=C(OC)C(OC)=C2OC)=O)=C(OC)C=C1,260.000000000000000 -C[N+]1(C)CCCCC1.[Cl-],268.000000000000000 -CC1(C(NC2=CC=C(O)C(Cl)=C2Cl)=O)CCCCC1,292.000000000000000 -OC(CNCP(O)(O)=O)=O,300.000000000000000 -COC1=CC(OC)=NC(NC(NS(CC2=CC=CC=C2C(O)=O)(=O)=O)=O)=N1,309.000000000000000 -CCOC1=NC(=CC2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3Cl)C(=O)OC)F,325.000000000000000 -COC(/C(C(C=CC=C2)=C2COC1=C(C)C=CC=C1)=N/OC)=O,375.000000000000000 -O=C/1CC(C(O)=O)CC(C1=C(C2CC2)\O)=O,393.000000000000000 -CC1=C(OC)C=CC=C1C(NN(C(C)(C)C)C(C2=CC(C)=CC(C)=C2)=O)=O,411.000000000000000 -O=C([O-])C(CC([O-])=C1C(CC)=O)CC1=O.[Ca+2],469.000000000000000 -ClC(C=C2)=CC=C2N1C(CC)=C(C(O)=O)C(C=N1)=O,470.000000000000000 -C/C(C1=NC=CC=C1C(O)=O)=N\NC(NC2=CC(F)=CC(F)=C2)=O,472.000000000000000 -O=[N+]([O-])C1=CC(C(F)(F)F)=CC([N+]([O-])=O)=C1N(CCC)CCC,480.000000000000000 -CN(NC(CCC(O)=O)=O)C,486.000000000000000 -O=S(N(C)S(C)(=O)=O)(NC(NC1=NC(OC)=CC(OC)=N1)=O)=O,495.399993896484000 -FC1=CC=CC(F)=C1NS(C3=NN2C(OC)=NC=C(F)C2=N3)(=O)=O,500.000000000000000 -OC(COC1=C(C(N)=C(C(F)=N1)Cl)Cl)=O,500.000000000000000 -O=C(O)C2=C(N=C(C=CC=C3)C3=C2)C(N1)=NC(C)(C(C)C)C1=O,500.000000000000000 -OC1=CC=C(O)N=N1,500.000000000000000 -CN(C)C(C(C=CC=C2)=C2NS(NC(NC1=NC(OC)=CC(OC)=N1)=O)(=O)=O)=O,500.000000000000000 -O=S(C1=C(C(OC)=O)C=CC=C1)([N-]C(N2N=C(OCCC)N(C)C2=O)=O)=O.[Na+],500.000000000000000 -COC1=CC=CC(OC)=C1C(NC2=CC(C(CC)(C)CC)=NO2)=O,527.000000000000000 -OC1=C(C2=CC=CC=C2)C=CC=C1,531.000000000000000 -OC(CNCP(O)(O)=O)=O,560.000000000000000 -COC1=CC=CC(OC)=C1C(NC2=CC(C(CC)(C)CC)=NO2)=O,600.000000000000000 -O=C(OCCC)NCCCN(C)C.[H]Cl,682.000000000000000 -C[N+]1(C)CCCCC1.[Cl-],684.000000000000000 -ClC1=CC=C(C=C(C)C=N2)C2=C1C(O)=O,740.000000000000000 -ClC1=C(CC(C3(CC3)Cl)(O)CN2N=CNC2=S)C=CC=C1,750.000000000000000 -COC(/C(C(C=CC=C2)=C2COC1=C(C)C=CC=C1)=N/OC)=O,752.099975585938000 -OC(CNCP(O)(O)=O)=O,940.000000000000000 -[O][N](N=C(NC)NCC1COCC1)=O,991.000000000000000 -OC(C1=NC(Cl)=CC(N)=C1Cl)=O,1000.000000000000000 -FC(F)(F)OC(C=CC=C2)=C2S(NC(N1C(N(C)C(OC)=N1)=O)=O)(=O)=O,1000.000000000000000 -OC1=C(C2=CC=CC=C2)C=CC=C1,1000.000000000000000 -O=S(NC1=NN2C(N=C(OC)C=C2OC)=N1)(C3=C(OC)N=CC=C3C(F)(F)F)=O,1000.000000000000000 -CC(C)OC(NC(C(C)C)C(NC(C1=CC=C(Cl)C=C1)CC(OC)=O)=O)=O,1000.000000000000000 -OC(CNCP(O)(O)=O)=O,1214.000000000000000 -O=S(C1=C(S(CC)(=O)=O)N=C2N1C=CC=C2)(NC(NC3=NC(OC)=CC(OC)=N3)=O)=O,1296.500000000000000 -[O-]P(OCC)([H])=O.[O-]P(OCC)([H])=O.[O-]P(OCC)([H])=O.[Al+3],1305.000000000000000 -O=S(C1=C(C(N(C)C)=O)C=CC=N1)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O,2088.000000000000000 |